N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-3-piperidinosulfonyl-benzamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C26H30N4O3S/c1-19-10-12-24(13-11-19)30-20(2)16-23(21(30)3)18-27-28-26(31)22-8-7-9-25(17-22)34(32,33)29-14-5-4-6-15-29/h7-13,16-18H,4-6,14-15H2,1-3H3,(H,28,31)/b27-18+