4-[2-[4-[(4-chlorophenyl)sulfonyl-cyclopropyl-amino]piperidin-1-yl]propanoylamino]adamantane-1-carboxamide

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)sulfonyl-cyclopropyl-amino]piperidin-1-yl]propanoylamino]adamantane-1-carboxamide Openeye Name: 4-[2-[4-[(4-chlorophenyl)sulfonyl-cyclopropyl-amino]-1-piperidyl]propanoylamino]adamantane-1-carboxamide CAS Name: 4-[[2-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]-1-piperidinyl]-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[2-[4-[(4-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]propanoylamino]adamantane-1-carboxamide Traditional Name: 4-[2-[4-[(4-chlorophenyl)sulfonyl-cyclopropyl-amino]piperidino]propanoylamino]adamantane-1-carboxamide Formula: C28H39ClN4O4S MolecularWeight: 563.15166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCC(CC4)N(C5CC5)S(=O)(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCC(CC4)N(C5CC5)S(=O)(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H39ClN4O4S/c1-17(26(34)31-25-19-12-18-13-20(25)16-28(14-18,15-19)27(30)35)32-10-8-23(9-11-32)33(22-4-5-22)38(36,37)24-6-2-21(29)3-7-24/h2-3,6-7,17-20,22-23,25H,4-5,8-16H2,1H3,(H2,30,35)(H,31,34)