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

Systemtic Name: N,N-diethyl-2-(4-methylpiperazin-1-yl)-4-(phenethylamino)-5-(phenylmethyl)sulfonyl-benzamide Openeye Name: 5-benzylsulfonyl-N,N-diethyl-2-(4-methylpiperazin-1-yl)-4-(phenethylamino)benzamide CAS Name: N,N-diethyl-2-(4-methyl-1-piperazinyl)-4-(phenethylamino)-5-(phenylmethyl)sulfonylbenzamide IUPAC Name: 5-benzylsulfonyl-N,N-diethyl-2-(4-methylpiperazin-1-yl)-4-(phenethylamino)benzamide Traditional Name: 5-benzylsulfonyl-N,N-diethyl-2-(4-methylpiperazino)-4-(phenethylamino)benzamide Formula: C31H40N4O3S MolecularWeight: 548.7393

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1N2CCN(CC2)C)NCCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1N2CCN(CC2)C)NCCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H40N4O3S/c1-4-34(5-2)31(36)27-22-30(39(37,38)24-26-14-10-7-11-15-26)28(32-17-16-25-12-8-6-9-13-25)23-29(27)35-20-18-33(3)19-21-35/h6-15,22-23,32H,4-5,16-21,24H2,1-3H3