N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[(1R)-1-(azepane-1-carbonyl)-2-methyl-propyl]-4-[(p-tolylsulfonylamino)methyl]cyclohexanecarboxamide CAS Name: N-[(2R)-1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[(1R)-1-(azepane-1-carbonyl)-2-methyl-propyl]-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C26H41N3O4S MolecularWeight: 491.68644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NC(C(C)C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)N[C@H](C(C)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C26H41N3O4S/c1-19(2)24(26(31)29-16-6-4-5-7-17-29)28-25(30)22-12-10-21(11-13-22)18-27-34(32,33)23-14-8-20(3)9-15-23/h8-9,14-15,19,21-22,24,27H,4-7,10-13,16-18H2,1-3H3,(H,28,30)/t21?,22?,24-/m1/s1