[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [(3Z)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C26H30N2O5S/c1-26(2)22-11-7-8-12-23(22)27(3)24(26)17-20(29)18-33-25(30)19-13-15-28(16-14-19)34(31,32)21-9-5-4-6-10-21/h4-12,17,19H,13-16,18H2,1-3H3/b24-17-