4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(1-pyrrolidinyl)butyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylbutyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-pyrrolidinobutyl)benzamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3CCCC3

InChI

InChI=1S/C21H33N3O3S/c1-2-19(23-13-7-8-14-23)17-22-21(25)18-9-11-20(12-10-18)28(26,27)24-15-5-3-4-6-16-24/h9-12,19H,2-8,13-17H2,1H3,(H,22,25)