N-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-3,4-dimethyl-benzenesulfonamide Formula: C23H37N4O4S+ MolecularWeight: 465.62928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H36N4O4S/c1-19-7-8-21(17-20(19)2)32(30,31)24-10-9-22(28)27-15-13-25(14-16-27)18-23(29)26-11-5-3-4-6-12-26/h7-8,17,24H,3-6,9-16,18H2,1-2H3/p+1