1-(4-methylphenyl)sulfonyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide Openeye Name: N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide Traditional Name: N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]-1-tosyl-isonipecotamide Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NN=CC3=CC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N/N=C/C3=CC=CN3C

InChI

InChI=1S/C19H24N4O3S/c1-15-5-7-18(8-6-15)27(25,26)23-12-9-16(10-13-23)19(24)21-20-14-17-4-3-11-22(17)2/h3-8,11,14,16H,9-10,12-13H2,1-2H3,(H,21,24)/b20-14+