[3-(ethoxymethyl)-4-methoxy-phenyl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(ethoxymethyl)-4-methoxy-phenyl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(ethoxymethyl)-4-methoxy-phenyl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(ethoxymethyl)-4-methoxy-phenyl]-(4-nosylpiperazino)methanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

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