methyl 1-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2(CCCCC2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2(CCCCC2)C(=O)OC

InChI

InChI=1S/C19H27N3O6S/c1-14(23)20-15-7-9-16(10-8-15)29(26,27)22(2)13-17(24)21-19(18(25)28-3)11-5-4-6-12-19/h7-10H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,24)