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

Systemtic Name: 3-[1-[4-methyl-1-(phenylsulfonyl)pentyl]piperidin-3-yl]indole-1-carboxylic acid Openeye Name: 3-[1-[1-(benzenesulfonyl)-4-methyl-pentyl]-3-piperidyl]indole-1-carboxylic acid CAS Name: 3-[1-[1-(benzenesulfonyl)-4-methylpentyl]-3-piperidinyl]-1-indolecarboxylic acid IUPAC Name: 3-[1-[1-(benzenesulfonyl)-4-methylpentyl]piperidin-3-yl]indole-1-carboxylic acid Traditional Name: 3-[1-(1-besyl-4-methyl-pentyl)-3-piperidyl]indole-1-carboxylic acid Formula: C26H32N2O4S MolecularWeight: 468.60828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(N1CCCC(C1)C2=CN(C3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCC(N1CCCC(C1)C2=CN(C3=CC=CC=C32)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O4S/c1-19(2)14-15-25(33(31,32)21-10-4-3-5-11-21)27-16-8-9-20(17-27)23-18-28(26(29)30)24-13-7-6-12-22(23)24/h3-7,10-13,18-20,25H,8-9,14-17H2,1-2H3,(H,29,30)