4-chloranyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(4-ethylpiperazino)sulfonylphenyl]-3-nitro-benzamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O5S/c1-2-22-8-10-23(11-9-22)30(28,29)16-5-3-4-15(13-16)21-19(25)14-6-7-17(20)18(12-14)24(26)27/h3-7,12-13H,2,8-11H2,1H3,(H,21,25)