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

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-[methyl(methylsulfonyl)amino]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-[mesyl(methyl)amino]phenyl]-4-methyl-benzenesulfonamide Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)N(C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)N(C)S(=O)(=O)C

InChI

InChI=1S/C20H28N4O4S2/c1-16-5-8-18(9-6-16)30(27,28)22-19-10-7-17(24-13-4-11-21-12-14-24)15-20(19)23(2)29(3,25)26/h5-10,15,21-22H,4,11-14H2,1-3H3