tert-butyl 4-(5-methoxycarbonyl-1-methyl-pyrrol-2-yl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methoxycarbonyl-1-methyl-pyrrol-2-yl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-methoxycarbonyl-1-methyl-pyrrol-2-yl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[(5-methoxycarbonyl-1-methyl-2-pyrrolyl)sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methoxycarbonyl-1-methylpyrrol-2-yl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-carbomethoxy-1-methyl-pyrrol-2-yl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(N2C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(N2C)C(=O)OC

InChI

InChI=1S/C17H27N3O6S/c1-17(2,3)26-16(22)19-9-6-10-20(12-11-19)27(23,24)14-8-7-13(18(14)4)15(21)25-5/h7-8H,6,9-12H2,1-5H3