N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(benzenesulfonamidomethyl)-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(benzenesulfonamidomethyl)-N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]cyclohexanecarboxamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3CCC(CC3)CNS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c1-19(26(31)29-16-15-21-7-5-6-8-23(21)18-29)28-25(30)22-13-11-20(12-14-22)17-27-34(32,33)24-9-3-2-4-10-24/h2-10,19-20,22,27H,11-18H2,1H3,(H,28,30)/t19-,20?,22?/m0/s1