methyl 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: methyl 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-(1-piperidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-piperidinosulfonyl-benzoic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCC(=CC3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCC(=CC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O4S/c1-33-26(30)22-17-20(34(31,32)29-13-5-2-6-14-29)9-10-25(22)28-15-11-19(12-16-28)23-18-27-24-8-4-3-7-21(23)24/h3-4,7-11,17-18,27H,2,5-6,12-16H2,1H3