1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 3-(2-nitroanilino)-1-(4-p-phenetylsulfonylpiperazino)propan-1-one Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-2-31-17-7-9-18(10-8-17)32(29,30)24-15-13-23(14-16-24)21(26)11-12-22-19-5-3-4-6-20(19)25(27)28/h3-10,22H,2,11-16H2,1H3