tert-butyl 4-(1-methylindol-5-yl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(1-methylindol-5-yl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(1-methylindol-5-yl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[(1-methyl-5-indolyl)sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-methylindol-5-yl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(1-methylindol-5-yl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)C

InChI

InChI=1S/C19H27N3O4S/c1-19(2,3)26-18(23)21-9-5-10-22(13-12-21)27(24,25)16-6-7-17-15(14-16)8-11-20(17)4/h6-8,11,14H,5,9-10,12-13H2,1-4H3