[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C24H27ClN2O5S MolecularWeight: 490.99958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C24H27ClN2O5S/c25-20-11-10-19(24(29)32-16-23(28)26-15-17-6-2-1-3-7-17)14-22(20)33(30,31)27-13-12-18-8-4-5-9-21(18)27/h4-5,8-11,14,17H,1-3,6-7,12-13,15-16H2,(H,26,28)