tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-methylsulfonyl-amino]phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-methylsulfonyl-amino]phenyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(7-cyano-2-naphthyl)methyl-methylsulfonyl-amino]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[(7-cyano-2-naphthalenyl)methyl-methylsulfonylamino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(7-cyanonaphthalen-2-yl)methyl-methylsulfonylamino]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(7-cyano-2-naphthyl)methyl-mesyl-amino]phenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C29H34N4O4S MolecularWeight: 534.66966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C#N)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C#N)S(=O)(=O)C

InChI

InChI=1S/C29H34N4O4S/c1-29(2,3)37-28(34)32-15-5-14-31(16-17-32)26-10-12-27(13-11-26)33(38(4,35)36)21-23-7-9-24-8-6-22(20-30)18-25(24)19-23/h6-13,18-19H,5,14-17,21H2,1-4H3