tert-butyl 4-(4-aminophenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-aminophenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-aminophenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(4-aminophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-aminophenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-sulfanilyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S/c1-16(2,3)23-15(20)18-9-4-10-19(12-11-18)24(21,22)14-7-5-13(17)6-8-14/h5-8H,4,9-12,17H2,1-3H3