[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O6S/c1-19(2)24(28-25(31)20-11-6-5-7-12-20)26(32)35-18-23(30)27-21-13-10-14-22(17-21)36(33,34)29-15-8-3-4-9-16-29/h5-7,10-14,17,19,24H,3-4,8-9,15-16,18H2,1-2H3,(H,27,30)(H,28,31)/t24-/m0/s1