3-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]indole

Systemtic Name: 3-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]indole Openeye Name: 3-[1-(1H-imidazol-5-ylsulfonyl)-4-piperidyl]-2-methyl-1-(o-tolylmethyl)indole CAS Name: 3-[1-(1H-imidazol-5-ylsulfonyl)-4-piperidinyl]-2-methyl-1-[(2-methylphenyl)methyl]indole IUPAC Name: 3-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-2-methyl-1-[(2-methylphenyl)methyl]indole Traditional Name: 3-[1-(1H-imidazol-5-ylsulfonyl)-4-piperidyl]-2-methyl-1-(2-methylbenzyl)indole Formula: C25H28N4O2S MolecularWeight: 448.58042

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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=CN5)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C3=CC=CC=C32)C4CCN(CC4)S(=O)(=O)C5=CN=CN5)C

InChI

InChI=1S/C25H28N4O2S/c1-18-7-3-4-8-21(18)16-29-19(2)25(22-9-5-6-10-23(22)29)20-11-13-28(14-12-20)32(30,31)24-15-26-17-27-24/h3-10,15,17,20H,11-14,16H2,1-2H3,(H,26,27)