(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

Systemtic Name: (2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide Openeye Name: (2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide CAS Name: (2S)-2-(4-methylphenoxy)-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]propanamide IUPAC Name: (2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide Traditional Name: (2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazino)sulfonylphenyl]propionamide Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H27N3O4S/c1-16-4-8-19(9-5-16)28-17(2)21(25)22-18-6-10-20(11-7-18)29(26,27)24-14-12-23(3)13-15-24/h4-11,17H,12-15H2,1-3H3,(H,22,25)/t17-/m0/s1