N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-chloranyl-adamantane-1-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-chloro-adamantane-1-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-chloroadamantane-1-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-chloro-adamantane-1-carboxamide Formula: C24H33ClN2O4S MolecularWeight: 481.04782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C24H33ClN2O4S/c1-31-21-7-6-19(32(29,30)27-8-4-2-3-5-9-27)11-20(21)26-22(28)23-12-17-10-18(13-23)15-24(25,14-17)16-23/h6-7,11,17-18H,2-5,8-10,12-16H2,1H3,(H,26,28)