6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]-3-(phenylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]-3-(phenylmethyl)benzimidazole-5-carboxamide Openeye Name: 3-benzyl-6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide CAS Name: 6-[[[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-oxomethyl]amino]-3-(phenylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 3-benzyl-6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxybenzoyl]amino]benzimidazole-5-carboxamide Traditional Name: 3-benzyl-6-[[5-(4-ethylpiperazino)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide Formula: C31H36N6O5S MolecularWeight: 604.71974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C(=O)NC3=CC4=C(C=C3C(=O)N)N(C=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C(=O)NC3=CC4=C(C=C3C(=O)N)N(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C31H36N6O5S/c1-3-16-42-29-11-10-23(43(40,41)37-14-12-35(4-2)13-15-37)17-25(29)31(39)34-26-19-27-28(18-24(26)30(32)38)36(21-33-27)20-22-8-6-5-7-9-22/h5-11,17-19,21H,3-4,12-16,20H2,1-2H3,(H2,32,38)(H,34,39)