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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(2-chlorophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(2-chloro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(2-chloro-N-mesyl-anilino)acetamide Formula: C18H28ClN3O3S MolecularWeight: 401.95122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=CC=C2Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H28ClN3O3S/c1-26(24,25)22(17-10-5-4-9-16(17)19)15-18(23)20-11-8-14-21-12-6-2-3-7-13-21/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,20,23)