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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-17-9-11-20(12-10-17)27(25,26)23-15-5-8-19(16-23)21(24)22-14-13-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)