N,N-diethyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-4-methyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-4-methyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: N,N-diethyl-4-methyl-3-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H35N3O4S/c1-5-28(6-2)33(30,31)23-13-8-20(3)24(18-23)25(29)27-15-7-14-26(16-17-27)19-21-9-11-22(32-4)12-10-21/h8-13,18H,5-7,14-17,19H2,1-4H3