4-[1-methyl-2-(phenylsulfonyl)indol-7-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1-methyl-2-(phenylsulfonyl)indol-7-yl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(benzenesulfonyl)-1-methyl-indol-7-yl]piperazine-1-carboxylic acid CAS Name: 4-[2-(benzenesulfonyl)-1-methyl-7-indolyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(benzenesulfonyl)-1-methylindol-7-yl]piperazine-1-carboxylic acid Traditional Name: 4-(2-besyl-1-methyl-indol-7-yl)piperazine-1-carboxylic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)N3CCN(CC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)N3CCN(CC3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/c1-21-18(28(26,27)16-7-3-2-4-8-16)14-15-6-5-9-17(19(15)21)22-10-12-23(13-11-22)20(24)25/h2-9,14H,10-13H2,1H3,(H,24,25)