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

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-but-2-enamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-but-2-enamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-methyl-2-butenamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-methylbut-2-enamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-3-methyl-but-2-enamide Formula: C17H26N3O4S+ MolecularWeight: 368.47104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S/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/h5-6,11-12H,7-10H2,1-4H3,(H,18,21)/p+1