4-(4-methylphenyl)sulfonyl-N-phenethyl-piperazine-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-phenethyl-piperazine-1-carboxamide Openeye Name: N-phenethyl-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-phenethyl-1-piperazinecarboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-phenethylpiperazine-1-carboxamide Traditional Name: N-phenethyl-4-tosyl-piperazine-1-carboxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-17-7-9-19(10-8-17)27(25,26)23-15-13-22(14-16-23)20(24)21-12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,24)