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

Systemtic Name: 4-chloranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[3-(2-oxoazepan-1-yl)propyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[3-(2-oxo-1-azepanyl)propyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[3-(2-oxoazepan-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[3-(2-ketoazepan-1-yl)propyl]-3-piperidinosulfonyl-benzamide Formula: C21H30ClN3O4S MolecularWeight: 455.9986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H30ClN3O4S/c22-18-10-9-17(16-19(18)30(28,29)25-14-5-2-6-15-25)21(27)23-11-7-13-24-12-4-1-3-8-20(24)26/h9-10,16H,1-8,11-15H2,(H,23,27)