N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Openeye Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C22H27N5O5S2 MolecularWeight: 505.61028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O5S2/c1-16-22(17(2)32-24-16)34(30,31)25-20-10-9-18(27-13-6-11-23-12-14-27)15-21(20)26-33(28,29)19-7-4-3-5-8-19/h3-5,7-10,15,23,25-26H,6,11-14H2,1-2H3