methyl 4-[(4-ethylphenyl)methyl-(3-methylphenyl)sulfonyl-amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate

Systemtic Name: methyl 4-[(4-ethylphenyl)methyl-(3-methylphenyl)sulfonyl-amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl 4-[(4-ethylphenyl)methyl-(m-tolylsulfonyl)amino]-3-hydroxy-2,2-dimethyl-chromane-6-carboxylate CAS Name: 4-[(4-ethylphenyl)methyl-(3-methylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-ethylphenyl)methyl-(3-methylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate Traditional Name: 4-[(4-ethylbenzyl)-(m-tolylsulfonyl)amino]-3-hydroxy-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C2C(C(OC3=C2C=C(C=C3)C(=O)OC)(C)C)O)S(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C2C(C(OC3=C2C=C(C=C3)C(=O)OC)(C)C)O)S(=O)(=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C29H33NO6S/c1-6-20-10-12-21(13-11-20)18-30(37(33,34)23-9-7-8-19(2)16-23)26-24-17-22(28(32)35-5)14-15-25(24)36-29(3,4)27(26)31/h7-17,26-27,31H,6,18H2,1-5H3