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

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-piperidinosulfonyl-benzamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H31N3O4S/c25-20-12-3-1-6-14-23(20)15-9-13-22-21(26)18-10-4-5-11-19(18)29(27,28)24-16-7-2-8-17-24/h4-5,10-11H,1-3,6-9,12-17H2,(H,22,26)