tert-butyl N-decyl-N-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propyl]carbamate

Systemtic Name: tert-butyl N-decyl-N-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propyl]carbamate Openeye Name: tert-butyl N-decyl-N-[3-[N-(p-tolylsulfonyl)anilino]propyl]carbamate CAS Name: N-decyl-N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-decyl-N-[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamate Traditional Name: N-decyl-N-[3-(N-tosylanilino)propyl]carbamic acid tert-butyl ester Formula: C31H48N2O4S MolecularWeight: 544.78882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCN(CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H48N2O4S/c1-6-7-8-9-10-11-12-16-24-32(30(34)37-31(3,4)5)25-17-26-33(28-18-14-13-15-19-28)38(35,36)29-22-20-27(2)21-23-29/h13-15,18-23H,6-12,16-17,24-26H2,1-5H3