N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(4-chlorophenyl)piperazino]sulfonylethyl]-2-methyl-3-nitro-benzamide Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5S/c1-15-18(3-2-4-19(15)25(27)28)20(26)22-9-14-31(29,30)24-12-10-23(11-13-24)17-7-5-16(21)6-8-17/h2-8H,9-14H2,1H3,(H,22,26)