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

Systemtic Name: 3-[4-[[1-(phenylsulfonyl)-4-propan-2-yl-indol-3-yl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-[[1-(benzenesulfonyl)-4-isopropyl-indol-3-yl]sulfonylamino]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[[1-(benzenesulfonyl)-4-propan-2-yl-3-indolyl]sulfonylamino]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[[1-(benzenesulfonyl)-4-propan-2-ylindol-3-yl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-[(1-besyl-4-isopropyl-indol-3-yl)sulfonylamino]piperidino]sulfonylbenzoic acid Formula: C29H31N3O8S3 MolecularWeight: 645.76674

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H31N3O8S3/c1-20(2)25-12-7-13-26-28(25)27(19-32(26)43(39,40)23-9-4-3-5-10-23)41(35,36)30-22-14-16-31(17-15-22)42(37,38)24-11-6-8-21(18-24)29(33)34/h3-13,18-20,22,30H,14-17H2,1-2H3,(H,33,34)