N,N-diethyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(E)-3-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(E)-3-keto-3-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]prop-1-enyl]benzenesulfonamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C25H33N3O3S/c1-4-28(5-2)32(30,31)24-12-9-22(10-13-24)11-14-25(29)27-17-15-26(16-18-27)20-23-8-6-7-21(3)19-23/h6-14,19H,4-5,15-18,20H2,1-3H3/p+1/b14-11+