[4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-methyl-4-(1-piperidylsulfonyl)pyrrol-2-yl]methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(1-methyl-4-piperidinosulfonyl-pyrrol-2-yl)methanone Formula: C23H32N4O3S MolecularWeight: 444.59018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H32N4O3S/c1-18-7-8-19(2)21(15-18)25-11-13-26(14-12-25)23(28)22-16-20(17-24(22)3)31(29,30)27-9-5-4-6-10-27/h7-8,15-17H,4-6,9-14H2,1-3H3