[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[(4-acetamidophenyl)sulfonyl-methyl-amino]phenoxy]acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C27H35N3O7S MolecularWeight: 545.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C27H35N3O7S/c1-18-6-5-7-25(19(18)2)29-26(32)16-37-27(33)17-36-23-12-10-22(11-13-23)30(4)38(34,35)24-14-8-21(9-15-24)28-20(3)31/h8-15,18-19,25H,5-7,16-17H2,1-4H3,(H,28,31)(H,29,32)