N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(2-nitroanilino)propionamide Formula: C20H26N5O5S+ MolecularWeight: 448.51594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S/c1-23-12-14-24(15-13-23)31(29,30)17-8-6-16(7-9-17)22-20(26)10-11-21-18-4-2-3-5-19(18)25(27)28/h2-9,21H,10-15H2,1H3,(H,22,26)/p+1