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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C(=CC=C2)N4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C(=CC=C2)N4CCN(CC4)C(=O)O

InChI

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