N-[4-(dimethylamino)-3-(4-methylphenyl)sulfonyl-phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(dimethylamino)-3-(4-methylphenyl)sulfonyl-phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(dimethylamino)-3-(p-tolylsulfonyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-[4-(dimethylamino)-3-(4-methylphenyl)sulfonylphenyl]-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-[4-(dimethylamino)-3-(4-methylphenyl)sulfonylphenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(dimethylamino)-3-tosyl-phenyl]-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C27H26N4O3S2 MolecularWeight: 518.65034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=CN=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=CN=C4)N(C)C

InChI

InChI=1S/C27H26N4O3S2/c1-19-7-10-23(11-8-19)36(33,34)25-16-22(9-12-24(25)31(2)3)30-27(32)21-6-4-5-20(15-21)18-35-26-17-28-13-14-29-26/h4-17H,18H2,1-3H3,(H,30,32)