4-(1-methylpiperidin-4-yl)-1-(phenylsulfonyl)indole-2-carboxylic acid

Systemtic Name: 4-(1-methylpiperidin-4-yl)-1-(phenylsulfonyl)indole-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-(1-methyl-4-piperidyl)indole-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-(1-methyl-4-piperidinyl)-2-indolecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-(1-methylpiperidin-4-yl)indole-2-carboxylic acid Traditional Name: 1-besyl-4-(1-methyl-4-piperidyl)indole-2-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=C3C=C(N(C3=CC=C2)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=C3C=C(N(C3=CC=C2)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-22-12-10-15(11-13-22)17-8-5-9-19-18(17)14-20(21(24)25)23(19)28(26,27)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,24,25)