1-(3-chlorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]urea CAS Name: 1-(3-chlorophenyl)-3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]urea Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-22-9-11-23(12-10-22)27(25,26)17-7-5-15(6-8-17)20-18(24)21-16-4-2-3-14(19)13-16/h2-8,13H,9-12H2,1H3,(H2,20,21,24)/p+1