(1S,2S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-cyclopropane-1-carboxamide

Systemtic Name: (1S,2S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-cyclopropane-1-carboxamide Openeye Name: (1S,2S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-cyclopropanecarboxamide CAS Name: (1S,2S)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-methyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide Traditional Name: (1S,2S)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methyl-cyclopropanecarboxamide Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C18H26N2O4S/c1-13-11-15(13)18(21)19-16-12-14(7-8-17(16)24-2)25(22,23)20-9-5-3-4-6-10-20/h7-8,12-13,15H,3-6,9-11H2,1-2H3,(H,19,21)/t13-,15-/m0/s1