5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(3-methylbutyl)benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-(3-methylbutyl)benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-isopentyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-(3-methylbutyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-(3-methylbutyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-isoamyl-benzamide Formula: C18H27ClN2O3S MolecularWeight: 386.93658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C18H27ClN2O3S/c1-14(2)9-10-20-18(22)16-13-15(7-8-17(16)19)25(23,24)21-11-5-3-4-6-12-21/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,20,22)