1-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one

Systemtic Name: 1-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one Openeye Name: 1-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one CAS Name: 1-[4-(4-aminophenyl)sulfonyl-1-piperazinyl]-3-(3-methyl-4-nitrophenoxy)-1-propanone IUPAC Name: 1-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-3-(3-methyl-4-nitrophenoxy)propan-1-one Traditional Name: 3-(3-methyl-4-nitro-phenoxy)-1-(4-sulfanilylpiperazino)propan-1-one Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S/c1-15-14-17(4-7-19(15)24(26)27)30-13-8-20(25)22-9-11-23(12-10-22)31(28,29)18-5-2-16(21)3-6-18/h2-7,14H,8-13,21H2,1H3