N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-isopropyl-N-tosyl-anilino)acetamide Formula: C27H39N3O3S MolecularWeight: 485.68186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C27H39N3O3S/c1-22(2)24-11-13-25(14-12-24)30(34(32,33)26-15-9-23(3)10-16-26)21-27(31)28-17-8-20-29-18-6-4-5-7-19-29/h9-16,22H,4-8,17-21H2,1-3H3,(H,28,31)