N-[5-(1,4-diazepan-1-yl)-2-[methyl(phenylsulfonyl)amino]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-[methyl(phenylsulfonyl)amino]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[benzenesulfonyl(methyl)amino]-5-(1,4-diazepan-1-yl)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[benzenesulfonyl(methyl)amino]-5-(1,4-diazepan-1-yl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[benzenesulfonyl(methyl)amino]-5-(1,4-diazepan-1-yl)phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[besyl(methyl)amino]-5-(1,4-diazepan-1-yl)phenyl]-4-methyl-benzenesulfonamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)N3CCCNCC3)N(C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)N3CCCNCC3)N(C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S2/c1-20-9-12-22(13-10-20)34(30,31)27-24-19-21(29-17-6-15-26-16-18-29)11-14-25(24)28(2)35(32,33)23-7-4-3-5-8-23/h3-5,7-14,19,26-27H,6,15-18H2,1-2H3