(2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenoxy-butanamide

Systemtic Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenoxy-butanamide Openeye Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenoxy-butanamide CAS Name: (2R)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-phenoxybutanamide IUPAC Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenoxybutanamide Traditional Name: (2R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-phenoxy-butyramide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-3-20(28-18-7-5-4-6-8-18)21(25)22-17-9-11-19(12-10-17)29(26,27)24-15-13-23(2)14-16-24/h4-12,20H,3,13-16H2,1-2H3,(H,22,25)/p+1/t20-/m1/s1