(1S,6S)-6-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(4-indolin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(4-indolin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H21N2O5S- MolecularWeight: 425.47754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-]

InChI

InChI=1S/C22H22N2O5S/c25-21(18-6-2-3-7-19(18)22(26)27)23-16-9-11-17(12-10-16)30(28,29)24-14-13-15-5-1-4-8-20(15)24/h1-5,8-12,18-19H,6-7,13-14H2,(H,23,25)(H,26,27)/p-1/t18-,19-/m0/s1