N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4-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=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c24-19-7-2-1-3-13-22(19)14-6-12-21-20(25)17-8-10-18(11-9-17)28(26,27)23-15-4-5-16-23/h8-11H,1-7,12-16H2,(H,21,25)