[3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-ethylsulfonylethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(2-esylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C38H47Cl2N5O6S MolecularWeight: 772.78068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

CCS(=O)(=O)CCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C38H47Cl2N5O6S/c1-5-52(47,48)22-21-45-32-10-7-6-9-31(32)41-37(45)43-16-8-15-42(19-20-43)17-13-38(28-11-12-29(39)30(40)25-28)14-18-44(26-38)36(46)27-23-33(49-2)35(51-4)34(24-27)50-3/h6-7,9-12,23-25H,5,8,13-22,26H2,1-4H3