N-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-keto-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethyl]-3,4-dimethyl-benzamide Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O7S/c1-15-4-5-17(12-16(15)2)22(28)23-14-21(27)24-8-10-25(11-9-24)34(31,32)18-6-7-20(33-3)19(13-18)26(29)30/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,28)