methyl 4-[[1-(4-methylphenyl)sulfonylindol-2-yl]-piperidin-1-yl-methyl]benzoate

Systemtic Name: methyl 4-[[1-(4-methylphenyl)sulfonylindol-2-yl]-piperidin-1-yl-methyl]benzoate Openeye Name: methyl 4-[1-piperidyl-[1-(p-tolylsulfonyl)indol-2-yl]methyl]benzoate CAS Name: 4-[[1-(4-methylphenyl)sulfonyl-2-indolyl]-(1-piperidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methylphenyl)sulfonylindol-2-yl]-piperidin-1-ylmethyl]benzoate Traditional Name: 4-[piperidino-(1-tosylindol-2-yl)methyl]benzoic acid methyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(C4=CC=C(C=C4)C(=O)OC)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(C4=CC=C(C=C4)C(=O)OC)N5CCCCC5

InChI

InChI=1S/C29H30N2O4S/c1-21-10-16-25(17-11-21)36(33,34)31-26-9-5-4-8-24(26)20-27(31)28(30-18-6-3-7-19-30)22-12-14-23(15-13-22)29(32)35-2/h4-5,8-17,20,28H,3,6-7,18-19H2,1-2H3