(6-oxidanylidenebenzo[c]chromen-3-yl) (1S,3S)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate

Systemtic Name: (6-oxidanylidenebenzo[c]chromen-3-yl) (1S,3S)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate Openeye Name: (6-oxobenzo[c]chromen-3-yl) (1S,3S)-3-(p-tolylsulfonylamino)cyclohexanecarboxylate CAS Name: (1S,3S)-3-[(4-methylphenyl)sulfonylamino]-1-cyclohexanecarboxylic acid (6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (6-oxobenzo[c]chromen-3-yl) (1S,3S)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: (1S,3S)-3-(tosylamino)cyclohexanecarboxylic acid (6-ketobenzo[c]chromen-3-yl) ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC(C2)C(=O)OC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCC[C@@H](C2)C(=O)OC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H25NO6S/c1-17-9-12-21(13-10-17)35(31,32)28-19-6-4-5-18(15-19)26(29)33-20-11-14-23-22-7-2-3-8-24(22)27(30)34-25(23)16-20/h2-3,7-14,16,18-19,28H,4-6,15H2,1H3/t18-,19-/m0/s1