N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C19H22ClN4O4S+ MolecularWeight: 437.92038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H21ClN4O4S/c20-14-2-1-3-15(12-14)24-10-8-23(9-11-24)7-6-21-29(26,27)16-4-5-17-18(13-16)28-19(25)22-17/h1-5,12-13,21H,6-11H2,(H,22,25)/p+1