N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

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