N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-ethylphenyl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-ethylphenyl)-1-tosyl-nipecotamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O3S/c1-3-17-8-10-19(11-9-17)22-21(24)18-5-4-14-23(15-18)27(25,26)20-12-6-16(2)7-13-20/h6-13,18H,3-5,14-15H2,1-2H3,(H,22,24)