5-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[3-(1-imidazolyl)propyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methyl-benzamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H28N4O3S/c1-17-7-8-18(28(26,27)24-12-4-2-3-5-13-24)15-19(17)20(25)22-9-6-11-23-14-10-21-16-23/h7-8,10,14-16H,2-6,9,11-13H2,1H3,(H,22,25)