N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(1R)-1,2-diphenylethyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H](CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-28-15-17-29(18-16-28)33(31,32)24-14-8-13-23(20-24)26(30)27-25(22-11-6-3-7-12-22)19-21-9-4-2-5-10-21/h2-14,20,25H,15-19H2,1H3,(H,27,30)/p+1/t25-/m1/s1