N-[3-(azepan-1-yl)propyl]-2-[(3-chlorophenyl)-methylsulfonyl-amino]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCCCCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCCN1CCCCCC1)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H30ClN3O3S/c1-16(23(27(2,25)26)18-10-7-9-17(20)15-18)19(24)21-11-8-14-22-12-5-3-4-6-13-22/h7,9-10,15-16H,3-6,8,11-14H2,1-2H3,(H,21,24)