[3-[1-(1,4-diazepan-1-yl)-2-[4-(2-ethoxyethyl)-1H-benzimidazol-2-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(2-methoxy-5-methylsulfinyl-phenyl)methanone

Systemtic Name: [3-[1-(1,4-diazepan-1-yl)-2-[4-(2-ethoxyethyl)-1H-benzimidazol-2-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(2-methoxy-5-methylsulfinyl-phenyl)methanone Openeye Name: [3-[1-(1,4-diazepan-1-yl)-2-[4-(2-ethoxyethyl)-1H-benzimidazol-2-yl]ethyl]-3-phenyl-pyrrolidin-1-yl]-(2-methoxy-5-methylsulfinyl-phenyl)methanone CAS Name: [3-[1-(1,4-diazepan-1-yl)-2-[4-(2-ethoxyethyl)-1H-benzimidazol-2-yl]ethyl]-3-phenyl-1-pyrrolidinyl]-(2-methoxy-5-methylsulfinylphenyl)methanone IUPAC Name: [3-[1-(1,4-diazepan-1-yl)-2-[4-(2-ethoxyethyl)-1H-benzimidazol-2-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(2-methoxy-5-methylsulfinylphenyl)methanone Traditional Name: [3-[1-(1,4-diazepan-1-yl)-2-[4-(2-ethoxyethyl)-1H-benzimidazol-2-yl]ethyl]-3-phenyl-pyrrolidino]-(2-methoxy-5-methylsulfinyl-phenyl)methanone Formula: C37H47N5O4S MolecularWeight: 657.86518

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1=C2C(=CC=C1)NC(=N2)CC(C3(CCN(C3)C(=O)C4=C(C=CC(=C4)S(=O)C)OC)C5=CC=CC=C5)N6CCCNCC6

Isomeric SMILES

CCOCCC1=C2C(=CC=C1)NC(=N2)CC(C3(CCN(C3)C(=O)C4=C(C=CC(=C4)S(=O)C)OC)C5=CC=CC=C5)N6CCCNCC6

InChI

InChI=1S/C37H47N5O4S/c1-4-46-23-16-27-10-8-13-31-35(27)40-34(39-31)25-33(41-20-9-18-38-19-22-41)37(28-11-6-5-7-12-28)17-21-42(26-37)36(43)30-24-29(47(3)44)14-15-32(30)45-2/h5-8,10-15,24,33,38H,4,9,16-23,25-26H2,1-3H3,(H,39,40)