N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O4S/c29-23(17-26-24(30)25-14-18-10-19(15-25)12-20(11-18)16-25)27-21-6-5-7-22(13-21)33(31,32)28-8-3-1-2-4-9-28/h5-7,13,18-20H,1-4,8-12,14-17H2,(H,26,30)(H,27,29)