3-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one

Systemtic Name: 3-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Openeye Name: 3-[(E)-2-(p-tolyl)vinyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one CAS Name: 3-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinone IUPAC Name: 3-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one Traditional Name: 3-[(E)-2-(p-tolyl)vinyl]sulfonyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-one Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CS(=O)(=O)C2C(=O)N(CCN2)NC3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/S(=O)(=O)C2C(=O)N(CCN2)NC3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C23H29N5O3S/c1-18-2-4-19(5-3-18)10-17-32(30,31)22-23(29)28(16-13-25-22)26-20-8-14-27(15-9-20)21-6-11-24-12-7-21/h2-7,10-12,17,20,22,25-26H,8-9,13-16H2,1H3/b17-10+