N-[(E)-[5-azanylidene-3-methyl-1-(4-methylphenyl)pyrazol-4-ylidene]amino]-3-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-[5-azanylidene-3-methyl-1-(4-methylphenyl)pyrazol-4-ylidene]amino]-3-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-[5-imino-3-methyl-1-(p-tolyl)pyrazol-4-ylidene]amino]-3-(1-piperidylsulfonyl)aniline CAS Name: N-[(E)-[5-imino-3-methyl-1-(4-methylphenyl)-4-pyrazolylidene]amino]-3-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(E)-[5-imino-3-methyl-1-(4-methylphenyl)pyrazol-4-ylidene]amino]-3-piperidin-1-ylsulfonylaniline Traditional Name: [(E)-[5-imino-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]amino]-(3-piperidinosulfonylphenyl)amine Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=N)C(=NNC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=N)/C(=N/NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)/C(=N2)C

InChI

InChI=1S/C22H26N6O2S/c1-16-9-11-19(12-10-16)28-22(23)21(17(2)26-28)25-24-18-7-6-8-20(15-18)31(29,30)27-13-4-3-5-14-27/h6-12,15,23-24H,3-5,13-14H2,1-2H3/b23-22?,25-21+