[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl] ester Formula: C29H27ClN2O5S MolecularWeight: 551.05308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H27ClN2O5S/c1-31-24-13-7-6-12-22(24)27(28(31)20-10-4-2-5-11-20)25(33)19-37-29(34)21-14-15-23(30)26(18-21)38(35,36)32-16-8-3-9-17-32/h2,4-7,10-15,18H,3,8-9,16-17,19H2,1H3