N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-propan-2-yloxyphenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[methylsulfonyl-(4-propan-2-yloxyphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-isopropoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-isopropoxy-N-mesyl-anilino)acetamide Formula: C21H35N3O4S MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C21H35N3O4S/c1-18(2)28-20-11-9-19(10-12-20)24(29(3,26)27)17-21(25)22-13-8-16-23-14-6-4-5-7-15-23/h9-12,18H,4-8,13-17H2,1-3H3,(H,22,25)