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

Systemtic Name: 2-dodecylsulfonylethyl 3-[[3-[azanyl-(phenylmethyl)amino]-2-methyl-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: 2-dodecylsulfonylethyl 3-[[3-[amino(benzyl)amino]-2-methyl-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[3-[amino-(phenylmethyl)amino]-2-methyl-1,3-dioxopropyl]amino]-4-chlorobenzoic acid 2-dodecylsulfonylethyl ester IUPAC Name: 2-dodecylsulfonylethyl 3-[[3-[amino(benzyl)amino]-2-methyl-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-[amino(benzyl)amino]-3-keto-2-methyl-propanoyl]amino]-4-chloro-benzoic acid 2-laurylsulfonylethyl ester Formula: C32H46ClN3O6S MolecularWeight: 636.24214

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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(CC2=CC=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C32H46ClN3O6S/c1-3-4-5-6-7-8-9-10-11-15-21-43(40,41)22-20-42-32(39)27-18-19-28(33)29(23-27)35-30(37)25(2)31(38)36(34)24-26-16-13-12-14-17-26/h12-14,16-19,23,25H,3-11,15,20-22,24,34H2,1-2H3,(H,35,37)