N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]-4-(phenylsulfonylaminomethyl)cyclohexane-1-carboxamide Openeye Name: 4-(benzenesulfonamidomethyl)-N-[3-[benzyl(isopropyl)amino]propyl]cyclohexanecarboxamide CAS Name: 4-(benzenesulfonamidomethyl)-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(benzenesulfonamidomethyl)-N-[3-[benzyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide Traditional Name: 4-(benzenesulfonamidomethyl)-N-[3-[benzyl(isopropyl)amino]propyl]cyclohexanecarboxamide Formula: C27H39N3O3S MolecularWeight: 485.68186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCCNC(=O)C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H39N3O3S/c1-22(2)30(21-24-10-5-3-6-11-24)19-9-18-28-27(31)25-16-14-23(15-17-25)20-29-34(32,33)26-12-7-4-8-13-26/h3-8,10-13,22-23,25,29H,9,14-21H2,1-2H3,(H,28,31)