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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)NCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)NCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4S/c26-20(16-23-21(27)22-15-18-7-3-1-4-8-18)24-11-13-25(14-12-24)30(28,29)17-19-9-5-2-6-10-19/h1-10H,11-17H2,(H2,22,23,27)