N-[3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[2-methyl-5-(1-piperidylsulfonyl)anilino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-methyl-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(2-methyl-5-piperidinosulfonyl-anilino)propyl]adamantane-1-carboxamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O4S/c1-18-5-6-22(34(32,33)29-9-3-2-4-10-29)14-23(18)28-24(30)7-8-27-25(31)26-15-19-11-20(16-26)13-21(12-19)17-26/h5-6,14,19-21H,2-4,7-13,15-17H2,1H3,(H,27,31)(H,28,30)