2-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 2-chloro-N-[3-(4-morpholin-4-iumyl)propyl]-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-(4-phenylpiperazino)sulfonyl-benzamide Formula: C24H32ClN4O4S+ MolecularWeight: 508.05328

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H31ClN4O4S/c25-23-8-7-21(19-22(23)24(30)26-9-4-10-27-15-17-33-18-16-27)34(31,32)29-13-11-28(12-14-29)20-5-2-1-3-6-20/h1-3,5-8,19H,4,9-18H2,(H,26,30)/p+1