2-[2-(4-chlorophenyl)sulfanylethanoylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H25ClN3O3S+ MolecularWeight: 434.9595

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3S/c22-16-5-7-17(8-6-16)29-15-20(26)24-19-4-2-1-3-18(19)21(27)23-9-10-25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,27)(H,24,26)/p+1