tert-butyl N-[1-[4-(butylamino)phenyl]sulfonylazetidin-3-yl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[1-[4-(butylamino)phenyl]sulfonylazetidin-3-yl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[1-[4-(butylamino)phenyl]sulfonylazetidin-3-yl]carbamate CAS Name: N-[1-[4-(butylamino)phenyl]sulfonyl-3-azetidinyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[1-[4-(butylamino)phenyl]sulfonylazetidin-3-yl]carbamate Traditional Name: N-benzyl-N-[1-[4-(butylamino)phenyl]sulfonylazetidin-3-yl]carbamic acid tert-butyl ester Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)S(=O)(=O)N2CC(C2)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCNC1=CC=C(C=C1)S(=O)(=O)N2CC(C2)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N3O4S/c1-5-6-16-26-21-12-14-23(15-13-21)33(30,31)27-18-22(19-27)28(24(29)32-25(2,3)4)17-20-10-8-7-9-11-20/h7-15,22,26H,5-6,16-19H2,1-4H3