3-azanyl-4-chloranyl-N-[2-[4-(2-methylsulfonyl-4-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-benzamide

Systemtic Name: 3-azanyl-4-chloranyl-N-[2-[4-(2-methylsulfonyl-4-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-benzamide Openeye Name: 3-amino-4-chloro-N-[2-[4-(2-methylsulfonyl-4-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-benzamide CAS Name: 3-amino-4-chloro-N-[2-[4-(2-methylsulfonyl-4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-N-phenylbenzamide IUPAC Name: 3-amino-4-chloro-N-[2-[4-(2-methylsulfonyl-4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide Traditional Name: 3-amino-4-chloro-N-[2-keto-2-[4-(2-mesyl-4-nitro-phenyl)piperazino]ethyl]-N-phenyl-benzamide Formula: C26H26ClN5O6S MolecularWeight: 572.03254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C26H26ClN5O6S/c1-39(37,38)24-16-20(32(35)36)8-10-23(24)29-11-13-30(14-12-29)25(33)17-31(19-5-3-2-4-6-19)26(34)18-7-9-21(27)22(28)15-18/h2-10,15-16H,11-14,17,28H2,1H3