3-[[1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidin-3-yl]methyl]indole-1-carboxylic acid

Systemtic Name: 3-[[1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidin-3-yl]methyl]indole-1-carboxylic acid Openeye Name: 3-[[1-[1-(benzenesulfonyl)-4-methyl-pentyl]-3-piperidyl]methyl]indole-1-carboxylic acid CAS Name: 3-[[1-[1-(benzenesulfonyl)-4-methylpentyl]-3-piperidinyl]methyl]-1-indolecarboxylic acid IUPAC Name: 3-[[1-[1-(benzenesulfonyl)-4-methylpentyl]piperidin-3-yl]methyl]indole-1-carboxylic acid Traditional Name: 3-[[1-(1-besyl-4-methyl-pentyl)-3-piperidyl]methyl]indole-1-carboxylic acid Formula: C27H34N2O4S MolecularWeight: 482.63486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(N1CCCC(C1)CC2=CN(C3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCC(N1CCCC(C1)CC2=CN(C3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H34N2O4S/c1-20(2)14-15-26(34(32,33)23-10-4-3-5-11-23)28-16-8-9-21(18-28)17-22-19-29(27(30)31)25-13-7-6-12-24(22)25/h3-7,10-13,19-21,26H,8-9,14-18H2,1-2H3,(H,30,31)