N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-tert-butyl-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-tert-butyl-4-(4-mesylphenyl)-1,4-diazepane-1-carboxamide Formula: C17H27N3O3S MolecularWeight: 353.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)N1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S/c1-17(2,3)18-16(21)20-11-5-10-19(12-13-20)14-6-8-15(9-7-14)24(4,22)23/h6-9H,5,10-13H2,1-4H3,(H,18,21)