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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]carbonylamino]benzimidazole-5-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-6-[[[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-oxomethyl]amino]-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-6-[[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxybenzoyl]amino]benzimidazole-5-carboxamide Traditional Name: 3-(2-chlorobenzyl)-6-[[5-(4-ethylpiperazino)sulfonyl-2-propoxy-benzoyl]amino]benzimidazole-5-carboxamide Formula: C31H35ClN6O5S MolecularWeight: 639.1648

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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=C5Cl

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=C5Cl

InChI

InChI=1S/C31H35ClN6O5S/c1-3-15-43-29-10-9-22(44(41,42)38-13-11-36(4-2)12-14-38)16-24(29)31(40)35-26-18-27-28(17-23(26)30(33)39)37(20-34-27)19-21-7-5-6-8-25(21)32/h5-10,16-18,20H,3-4,11-15,19H2,1-2H3,(H2,33,39)(H,35,40)