N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-butanamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-butanamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-butanamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-methylbutanamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-methylbutanamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-butyramide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C)OC

InChI

InChI=1S/C17H27N3O4S/c1-13(2)11-17(21)18-15-12-14(5-6-16(15)24-4)25(22,23)20-9-7-19(3)8-10-20/h5-6,12-13H,7-11H2,1-4H3,(H,18,21)/p+1