3H-benzimidazol-5-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-(4-p-phenetylsulfonylpiperazino)methanone Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C20H22N4O4S/c1-2-28-16-4-6-17(7-5-16)29(26,27)24-11-9-23(10-12-24)20(25)15-3-8-18-19(13-15)22-14-21-18/h3-8,13-14H,2,9-12H2,1H3,(H,21,22)