ethyl 2-[4-[[4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-6-yl]carbonyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[[4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-6-yl]carbonyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonyl]piperazin-1-yl]acetate CAS Name: 2-[4-[[4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]-oxomethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonyl]piperazino]acetic acid ethyl ester Formula: C28H37N3O7S MolecularWeight: 559.67428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)N4CCN(CC4)CC(=O)OCC)(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)N4CCN(CC4)CC(=O)OCC)(C)C)O

InChI

InChI=1S/C28H37N3O7S/c1-5-19-7-10-21(11-8-19)39(35,36)29-25-22-17-20(9-12-23(22)38-28(3,4)26(25)33)27(34)31-15-13-30(14-16-31)18-24(32)37-6-2/h7-12,17,25-26,29,33H,5-6,13-16,18H2,1-4H3