(1S,2R)-2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(4-indolin-1-ylsulfonylphenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(4-indolin-1-ylsulfonylphenyl)carbamoyl]cyclohexanecarboxylate Formula: C22H23N2O5S- MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C22H24N2O5S/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/h1,4-5,8-12,18-19H,2-3,6-7,13-14H2,(H,23,25)(H,26,27)/p-1/t18-,19+/m1/s1