1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-22-6-5-7-24(20-22)21-27-16-18-28(19-17-27)26(30)13-10-23-8-11-25(12-9-23)33(31,32)29-14-3-2-4-15-29/h5-9,11-12,20H,2-4,10,13-19,21H2,1H3