N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O4S/c24-19-10-2-1-3-12-22(19)13-7-11-21-20(25)17-8-6-9-18(16-17)28(26,27)23-14-4-5-15-23/h6,8-9,16H,1-5,7,10-15H2,(H,21,25)