tert-butyl N-[4-[2-[2-dimethylaminoethyl(phenylsulfonyl)amino]-5-methyl-phenoxy]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[2-dimethylaminoethyl(phenylsulfonyl)amino]-5-methyl-phenoxy]butyl]carbamate Openeye Name: tert-butyl N-[4-[2-[benzenesulfonyl(2-dimethylaminoethyl)amino]-5-methyl-phenoxy]butyl]carbamate CAS Name: N-[4-[2-[benzenesulfonyl(2-dimethylaminoethyl)amino]-5-methylphenoxy]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[benzenesulfonyl(2-dimethylaminoethyl)amino]-5-methylphenoxy]butyl]carbamate Traditional Name: N-[4-[2-[besyl(2-dimethylaminoethyl)amino]-5-methyl-phenoxy]butyl]carbamic acid tert-butyl ester Formula: C26H39N3O5S MolecularWeight: 505.66996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCN(C)C)S(=O)(=O)C2=CC=CC=C2)OCCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCN(C)C)S(=O)(=O)C2=CC=CC=C2)OCCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H39N3O5S/c1-21-14-15-23(24(20-21)33-19-11-10-16-27-25(30)34-26(2,3)4)29(18-17-28(5)6)35(31,32)22-12-8-7-9-13-22/h7-9,12-15,20H,10-11,16-19H2,1-6H3,(H,27,30)