(3-methoxy-4-prop-2-enoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methoxy-4-prop-2-enoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-allyloxy-3-methoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-methoxy-4-prop-2-enoxyphenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methoxy-4-prop-2-enoxyphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-allyloxy-3-methoxy-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC=C

InChI

InChI=1S/C21H23N3O7S/c1-3-14-31-18-9-8-16(15-19(18)30-2)21(25)22-10-12-23(13-11-22)32(28,29)20-7-5-4-6-17(20)24(26)27/h3-9,15H,1,10-14H2,2H3