N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-bicyclo[2.2.1]hept-2-enecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC3CC2C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC3CC2C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H28N2O3S/c1-15-6-9-18(22-21(24)19-13-16-7-8-17(19)12-16)14-20(15)27(25,26)23-10-4-2-3-5-11-23/h6-9,14,16-17,19H,2-5,10-13H2,1H3,(H,22,24)