[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N(C)C2CCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)N(C)C2CCCCC2

InChI

InChI=1S/C20H29N3O6S/c1-15(24)21-16-9-11-18(12-10-16)30(27,28)22(2)13-20(26)29-14-19(25)23(3)17-7-5-4-6-8-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,21,24)