(5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O7S/c1-3-31-20-13-17(18(24(26)27)14-19(20)30-2)21(25)22-9-11-23(12-10-22)32(28,29)15-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3