1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(4-nitroanilino)butan-1-one CAS Name: 1-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-4-(4-nitroanilino)butan-1-one Traditional Name: 1-[4-(2-chlorophenyl)sulfonylpiperazino]-4-(4-nitroanilino)butan-1-one Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O5S/c21-18-4-1-2-5-19(18)31(29,30)24-14-12-23(13-15-24)20(26)6-3-11-22-16-7-9-17(10-8-16)25(27)28/h1-2,4-5,7-10,22H,3,6,11-15H2