N-[2-methoxy-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]propanamide

Systemtic Name: N-[2-methoxy-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]propanamide Openeye Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]propanamide CAS Name: N-[2-methoxy-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]propanamide IUPAC Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxyphenyl]propanamide Traditional Name: N-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-methoxy-phenyl]propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-3-21(25)22-19-15-18(9-10-20(19)28-2)29(26,27)24-13-11-23(12-14-24)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25)/p+1