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

Systemtic Name: [3-[2-[4-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride Openeye Name: [3-[2-[4-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride CAS Name: [3-[2-[4-[1-(2-ethylsulfonylethyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride IUPAC Name: [3-[2-[4-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride Traditional Name: [3-[2-[4-[1-(2-esylethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]-3-phenyl-pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone hydrochloride Formula: C38H50ClN5O6S MolecularWeight: 740.3515

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=CC=C6.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=CC=C6.Cl

InChI

InChI=1S/C38H49N5O6S.ClH/c1-5-50(45,46)25-24-43-32-15-10-9-14-31(32)39-37(43)41-19-11-18-40(22-23-41)20-16-38(30-12-7-6-8-13-30)17-21-42(28-38)36(44)29-26-33(47-2)35(49-4)34(27-29)48-3;/h6-10,12-15,26-27H,5,11,16-25,28H2,1-4H3;1H