N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-N-methylsulfonyl-anilino)propanamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-mesyl-4-methoxy-anilino)propionamide Formula: C20H33N3O4S MolecularWeight: 411.55872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4S/c1-17(20(24)21-13-8-16-22-14-6-4-5-7-15-22)23(28(3,25)26)18-9-11-19(27-2)12-10-18/h9-12,17H,4-8,13-16H2,1-3H3,(H,21,24)