1-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-[3-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-benzyl-3-[3-keto-3-(4-nosylpiperazino)propyl]urea Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCNC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCNC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6S/c27-20(10-11-22-21(28)23-16-17-4-2-1-3-5-17)24-12-14-25(15-13-24)33(31,32)19-8-6-18(7-9-19)26(29)30/h1-9H,10-16H2,(H2,22,23,28)