2-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1-[(2-methylphenyl)methyl]indole

Systemtic Name: 2-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1-[(2-methylphenyl)methyl]indole Openeye Name: 2-methyl-3-[1-(1-methylimidazol-4-yl)sulfonyl-4-piperidyl]-1-(o-tolylmethyl)indole CAS Name: 2-methyl-3-[1-[(1-methyl-4-imidazolyl)sulfonyl]-4-piperidinyl]-1-[(2-methylphenyl)methyl]indole IUPAC Name: 2-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-1-[(2-methylphenyl)methyl]indole Traditional Name: 2-methyl-1-(2-methylbenzyl)-3-[1-(1-methylimidazol-4-yl)sulfonyl-4-piperidyl]indole Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)C4CCN(CC4)S(=O)(=O)C5=CN(C=N5)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)C4CCN(CC4)S(=O)(=O)C5=CN(C=N5)C)C

InChI

InChI=1S/C26H30N4O2S/c1-19-8-4-5-9-22(19)16-30-20(2)26(23-10-6-7-11-24(23)30)21-12-14-29(15-13-21)33(31,32)25-17-28(3)18-27-25/h4-11,17-18,21H,12-16H2,1-3H3