N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide Formula: C32H31N4O3S2+ MolecularWeight: 583.74354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C32H30N4O3S2/c1-23-10-15-29-30(20-23)40-32(34-29)25-11-13-27(14-12-25)33-31(37)26-8-5-9-28(21-26)41(38,39)36-18-16-35(17-19-36)22-24-6-3-2-4-7-24/h2-15,20-21H,16-19,22H2,1H3,(H,33,37)/p+1