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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H29N3O6S/c1-14-4-6-17(7-5-14)22-19(25)13-29-20(26)12-23(3)30(27,28)18-10-8-16(9-11-18)21-15(2)24/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,21,24)(H,22,25)