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

Systemtic Name: tert-butyl N,N-bis[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propyl]carbamate Openeye Name: tert-butyl N,N-bis[3-[N-(p-tolylsulfonyl)anilino]propyl]carbamate CAS Name: N,N-bis[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N,N-bis[3-(N-(4-methylphenyl)sulfonylanilino)propyl]carbamate Traditional Name: N,N-bis[3-(N-tosylanilino)propyl]carbamic acid tert-butyl ester Formula: C37H45N3O6S2 MolecularWeight: 691.8997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(CCCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(CCCN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C37H45N3O6S2/c1-30-18-22-34(23-19-30)47(42,43)39(32-14-8-6-9-15-32)28-12-26-38(36(41)46-37(3,4)5)27-13-29-40(33-16-10-7-11-17-33)48(44,45)35-24-20-31(2)21-25-35/h6-11,14-25H,12-13,26-29H2,1-5H3