N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-oxidanylcyclohexyl)amino]-5-piperazin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-oxidanylcyclohexyl)amino]-5-piperazin-1-ylsulfonyl-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-piperazin-1-ylsulfonyl-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-(1-piperazinylsulfonyl)benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-hydroxycyclohexyl)amino]-5-piperazin-1-ylsulfonylbenzamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-5-piperazinosulfonyl-N-veratryl-benzamide Formula: C26H36N4O6S MolecularWeight: 532.65224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCNCC3)NC4CCC(CC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCNCC3)NC4CCC(CC4)O)OC

InChI

InChI=1S/C26H36N4O6S/c1-35-24-10-3-18(15-25(24)36-2)17-28-26(32)22-16-21(37(33,34)30-13-11-27-12-14-30)8-9-23(22)29-19-4-6-20(31)7-5-19/h3,8-10,15-16,19-20,27,29,31H,4-7,11-14,17H2,1-2H3,(H,28,32)