N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(3-chlorophenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(3-chloro-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(3-chloro-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(3-chloro-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(3-chloro-N-mesyl-anilino)butyramide Formula: C19H30ClN3O3S MolecularWeight: 415.9778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCN1CCCCCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCCN1CCCCCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H30ClN3O3S/c1-3-18(19(24)21-11-14-22-12-6-4-5-7-13-22)23(27(2,25)26)17-10-8-9-16(20)15-17/h8-10,15,18H,3-7,11-14H2,1-2H3,(H,21,24)