N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(phenethylamino)-N-phenyl-benzamide

Systemtic Name: N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(phenethylamino)-N-phenyl-benzamide Openeye Name: N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(phenethylamino)-N-phenyl-benzamide CAS Name: N-methyl-2-(4-methyl-1-piperazinyl)-5-methylsulfonyl-4-(phenethylamino)-N-phenylbenzamide IUPAC Name: N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfonyl-4-(phenethylamino)-N-phenylbenzamide Traditional Name: 5-mesyl-N-methyl-2-(4-methylpiperazino)-4-(phenethylamino)-N-phenyl-benzamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N(C)C3=CC=CC=C3)S(=O)(=O)C)NCCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2C(=O)N(C)C3=CC=CC=C3)S(=O)(=O)C)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H34N4O3S/c1-30-16-18-32(19-17-30)26-21-25(29-15-14-22-10-6-4-7-11-22)27(36(3,34)35)20-24(26)28(33)31(2)23-12-8-5-9-13-23/h4-13,20-21,29H,14-19H2,1-3H3