N-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]benzamide

Systemtic Name: N-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]benzamide Openeye Name: N-cyclopropyl-N-[(4-isopropylphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-cyclopropyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(4-propan-2-ylphenyl)methyl]benzamide IUPAC Name: N-cyclopropyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]benzamide Traditional Name: N-cyclopropyl-N-(4-isopropylbenzyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H33N3O3S/c1-19(2)21-9-7-20(8-10-21)18-28(23-11-12-23)25(29)22-5-4-6-24(17-22)32(30,31)27-15-13-26(3)14-16-27/h4-10,17,19,23H,11-16,18H2,1-3H3/p+1