[4-(3-methylphenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-[1-[(E)-styryl]sulfonyl-4-piperidyl]methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone Traditional Name: [4-(m-tolyl)piperazino]-[1-[(E)-styryl]sulfonyl-4-piperidyl]methanone Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S/c1-21-6-5-9-24(20-21)26-15-17-27(18-16-26)25(29)23-10-13-28(14-11-23)32(30,31)19-12-22-7-3-2-4-8-22/h2-9,12,19-20,23H,10-11,13-18H2,1H3/b19-12+