N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(mesyl)amino]phenyl]-4-methyl-benzenesulfonamide Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C21H30N4O4S2/c1-4-25(30(3,26)27)21-16-18(24-14-5-12-22-13-15-24)8-11-20(21)23-31(28,29)19-9-6-17(2)7-10-19/h6-11,16,22-23H,4-5,12-15H2,1-3H3