1-(azepan-1-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propan-1-one Formula: C23H34N4O3S MolecularWeight: 446.60606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCCCCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCCCCC4

InChI

InChI=1S/C23H34N4O3S/c1-2-13-27-21-10-9-19(31(29,30)26-16-7-8-17-26)18-20(21)24-22(27)11-12-23(28)25-14-5-3-4-6-15-25/h9-10,18H,2-8,11-17H2,1H3