4-azanyl-3-[[2-oxidanylidene-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-(phenylmethyl)amino]benzenecarboximidamide

Systemtic Name: 4-azanyl-3-[[2-oxidanylidene-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-(phenylmethyl)amino]benzenecarboximidamide Openeye Name: 4-amino-3-[benzyl-[2-oxo-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]benzamidine CAS Name: 4-amino-3-[[2-oxo-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-(phenylmethyl)amino]benzenecarboximidamide IUPAC Name: 4-amino-3-[benzyl-[2-oxo-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]benzenecarboximidamide Traditional Name: 4-amino-3-[benzyl-[2-keto-2-[7-(2-sulfamoylphenyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]amino]benzamidine Formula: C30H30N6O4S MolecularWeight: 570.662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1C(=O)CN(CC3=CC=CC=C3)C4=C(C=CC(=C4)C(=N)N)N)C=CC(=C2)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C1COC2=C(N1C(=O)CN(CC3=CC=CC=C3)C4=C(C=CC(=C4)C(=N)N)N)C=CC(=C2)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C30H30N6O4S/c31-24-12-10-22(30(32)33)16-26(24)35(18-20-6-2-1-3-7-20)19-29(37)36-14-15-40-27-17-21(11-13-25(27)36)23-8-4-5-9-28(23)41(34,38)39/h1-13,16-17H,14-15,18-19,31H2,(H3,32,33)(H2,34,38,39)