N-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-4-tosyl-piperazine-1-carboxamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C21H27N3O4S/c1-17-6-8-20(9-7-17)29(26,27)24-13-11-23(12-14-24)21(25)22-10-15-28-19-5-3-4-18(2)16-19/h3-9,16H,10-15H2,1-2H3,(H,22,25)