N-[3-(azepan-1-yl)butyl]-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-yl)butyl]-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)butyl]-2-chloro-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(1-azepanyl)butyl]-2-chloro-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-yl)butyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)butyl]-2-chloro-5-piperidinosulfonyl-benzamide Formula: C22H34ClN3O3S MolecularWeight: 456.04166

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N3CCCCCC3

Isomeric SMILES

CC(CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)N3CCCCCC3

InChI

InChI=1S/C22H34ClN3O3S/c1-18(25-13-5-2-3-6-14-25)11-12-24-22(27)20-17-19(9-10-21(20)23)30(28,29)26-15-7-4-8-16-26/h9-10,17-18H,2-8,11-16H2,1H3,(H,24,27)