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

Systemtic Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(2-methoxyphenyl)piperazino]sulfonylethyl]-2-methyl-3-nitro-benzamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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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=CC=C3OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC

InChI

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