N,N-diethyl-2-(4-methylpiperazin-1-yl)-5-(phenylmethyl)sulfonyl-4-(pyridin-2-ylmethylamino)benzamide

Systemtic Name: N,N-diethyl-2-(4-methylpiperazin-1-yl)-5-(phenylmethyl)sulfonyl-4-(pyridin-2-ylmethylamino)benzamide Openeye Name: 5-benzylsulfonyl-N,N-diethyl-2-(4-methylpiperazin-1-yl)-4-(2-pyridylmethylamino)benzamide CAS Name: N,N-diethyl-2-(4-methyl-1-piperazinyl)-5-(phenylmethyl)sulfonyl-4-(2-pyridinylmethylamino)benzamide IUPAC Name: 5-benzylsulfonyl-N,N-diethyl-2-(4-methylpiperazin-1-yl)-4-(pyridin-2-ylmethylamino)benzamide Traditional Name: 5-benzylsulfonyl-N,N-diethyl-2-(4-methylpiperazino)-4-(2-pyridylmethylamino)benzamide Formula: C29H37N5O3S MolecularWeight: 535.70078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1N2CCN(CC2)C)NCC3=CC=CC=N3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1N2CCN(CC2)C)NCC3=CC=CC=N3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C29H37N5O3S/c1-4-33(5-2)29(35)25-19-28(38(36,37)22-23-11-7-6-8-12-23)26(31-21-24-13-9-10-14-30-24)20-27(25)34-17-15-32(3)16-18-34/h6-14,19-20,31H,4-5,15-18,21-22H2,1-3H3