N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29N3O6S/c1-16-2-9-20(10-3-16)34(30,31)26-13-17-4-6-18(7-5-17)24(29)25-14-23(28)27-19-8-11-21-22(12-19)33-15-32-21/h2-3,8-12,17-18,26H,4-7,13-15H2,1H3,(H,25,29)(H,27,28)