N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C23H28N5O3S+ MolecularWeight: 454.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N5O3S/c1-18(19-6-8-21(9-7-19)27-11-10-24-17-27)25-23(29)20-4-3-5-22(16-20)32(30,31)28-14-12-26(2)13-15-28/h3-11,16-18H,12-15H2,1-2H3,(H,25,29)/p+1/t18-/m0/s1