2-dodecylsulfonylethyl 4-chloranyl-3-[[2-methyl-3-[methyl-(phenylmethyl)amino]-3-oxidanylidene-propanoyl]amino]benzoate

Systemtic Name: 2-dodecylsulfonylethyl 4-chloranyl-3-[[2-methyl-3-[methyl-(phenylmethyl)amino]-3-oxidanylidene-propanoyl]amino]benzoate Openeye Name: 2-dodecylsulfonylethyl 3-[[3-[benzyl(methyl)amino]-2-methyl-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[2-methyl-3-[methyl-(phenylmethyl)amino]-1,3-dioxopropyl]amino]benzoic acid 2-dodecylsulfonylethyl ester IUPAC Name: 2-dodecylsulfonylethyl 3-[[3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-[benzyl(methyl)amino]-3-keto-2-methyl-propanoyl]amino]-4-chloro-benzoic acid 2-laurylsulfonylethyl ester Formula: C33H47ClN2O6S MolecularWeight: 635.25408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C33H47ClN2O6S/c1-4-5-6-7-8-9-10-11-12-16-22-43(40,41)23-21-42-33(39)28-19-20-29(34)30(24-28)35-31(37)26(2)32(38)36(3)25-27-17-14-13-15-18-27/h13-15,17-20,24,26H,4-12,16,21-23,25H2,1-3H3,(H,35,37)