3-[[4-[[1-(phenylsulfonyl)-4-propan-2-yl-indol-3-yl]sulfonylamino]piperidin-1-yl]carbothioylamino]benzoic acid

Systemtic Name: 3-[[4-[[1-(phenylsulfonyl)-4-propan-2-yl-indol-3-yl]sulfonylamino]piperidin-1-yl]carbothioylamino]benzoic acid Openeye Name: 3-[[4-[[1-(benzenesulfonyl)-4-isopropyl-indol-3-yl]sulfonylamino]piperidine-1-carbothioyl]amino]benzoic acid CAS Name: 3-[[[4-[[1-(benzenesulfonyl)-4-propan-2-yl-3-indolyl]sulfonylamino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[4-[[1-(benzenesulfonyl)-4-propan-2-ylindol-3-yl]sulfonylamino]piperidine-1-carbothioyl]amino]benzoic acid Traditional Name: 3-[[4-[(1-besyl-4-isopropyl-indol-3-yl)sulfonylamino]piperidine-1-carbothioyl]amino]benzoic acid Formula: C30H32N4O6S3 MolecularWeight: 640.79328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)N(C=C2S(=O)(=O)NC3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(=O)O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)N(C=C2S(=O)(=O)NC3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(=O)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O6S3/c1-20(2)25-12-7-13-26-28(25)27(19-34(26)43(39,40)24-10-4-3-5-11-24)42(37,38)32-22-14-16-33(17-15-22)30(41)31-23-9-6-8-21(18-23)29(35)36/h3-13,18-20,22,32H,14-17H2,1-2H3,(H,31,41)(H,35,36)