N-tert-butyl-3-methyl-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]butanamide

Systemtic Name: N-tert-butyl-3-methyl-2-[4-(4-methylphenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]butanamide Openeye Name: N-tert-butyl-3-methyl-2-[7-oxo-4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butanamide CAS Name: N-tert-butyl-3-methyl-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]butanamide IUPAC Name: N-tert-butyl-3-methyl-2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]butanamide Traditional Name: N-tert-butyl-2-(7-keto-4-tosyl-1,4-diazepan-1-yl)-3-methyl-butyramide Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(C(C)C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)C(C(C)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H33N3O4S/c1-15(2)19(20(26)22-21(4,5)6)24-14-13-23(12-11-18(24)25)29(27,28)17-9-7-16(3)8-10-17/h7-10,15,19H,11-14H2,1-6H3,(H,22,26)