2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-6-pyrrolidin-1-ylsulfonyl-quinoline

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-6-pyrrolidin-1-ylsulfonyl-quinoline Openeye Name: 2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-6-pyrrolidin-1-ylsulfonyl-quinoline CAS Name: 2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-6-(1-pyrrolidinylsulfonyl)quinoline IUPAC Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-6-pyrrolidin-1-ylsulfonylquinoline Traditional Name: 2-[3-methyl-4-(m-tolyl)piperazino]-6-pyrrolidinosulfonyl-quinoline Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H30N4O2S/c1-19-6-5-7-22(16-19)29-15-14-27(18-20(29)2)25-11-8-21-17-23(9-10-24(21)26-25)32(30,31)28-12-3-4-13-28/h5-11,16-17,20H,3-4,12-15,18H2,1-2H3