2-[[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoyl]amino]ethyl-diethyl-ammonium Formula: C23H32ClN4O3S+ MolecularWeight: 480.04318

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H31ClN4O3S/c1-3-26(4-2)13-12-25-23(29)21-18-20(10-11-22(21)24)32(30,31)28-16-14-27(15-17-28)19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3,(H,25,29)/p+1