N-(3-chloranyl-2-methyl-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O3S/c1-16-19(22)8-5-9-20(16)23-21(25)18-10-13-24(14-11-18)28(26,27)15-12-17-6-3-2-4-7-17/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,23,25)/b15-12+