methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: methyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O5S/c1-18-7-9-19(10-8-18)22(17-23(27)31-2)25-24(28)20-11-13-21(14-12-20)32(29,30)26-15-5-3-4-6-16-26/h7-14,22H,3-6,15-17H2,1-2H3,(H,25,28)