N-heptan-2-yl-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-heptan-2-yl-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(1-methylhexyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-heptan-2-yl-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-heptan-2-yl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(1-methylhexyl)-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C19H31N3O3S MolecularWeight: 381.53274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C19H31N3O3S/c1-4-5-6-8-16(2)20-19(23)17-9-7-10-18(15-17)26(24,25)22-13-11-21(3)12-14-22/h7,9-10,15-16H,4-6,8,11-14H2,1-3H3,(H,20,23)