1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]urea CAS Name: 1-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]urea Traditional Name: 1-benzyl-3-[2-keto-2-(4-tosylpiperazino)ethyl]urea Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-17-7-9-19(10-8-17)30(28,29)25-13-11-24(12-14-25)20(26)16-23-21(27)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H2,22,23,27)