3-carbamimidoyl-N-[(2R)-3-methyl-1-oxidanylidene-1-[[4-(2-sulfamoylphenyl)phenyl]amino]butan-2-yl]benzamide

Systemtic Name: 3-carbamimidoyl-N-[(2R)-3-methyl-1-oxidanylidene-1-[[4-(2-sulfamoylphenyl)phenyl]amino]butan-2-yl]benzamide Openeye Name: 3-carbamimidoyl-N-[(1R)-2-methyl-1-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]propyl]benzamide CAS Name: 3-carbamimidoyl-N-[(2R)-3-methyl-1-oxo-1-[4-(2-sulfamoylphenyl)anilino]butan-2-yl]benzamide IUPAC Name: 3-carbamimidoyl-N-[(2R)-3-methyl-1-oxo-1-[4-(2-sulfamoylphenyl)anilino]butan-2-yl]benzamide Traditional Name: 3-amidino-N-[(1R)-2-methyl-1-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]propyl]benzamide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H27N5O4S/c1-15(2)22(30-24(31)18-7-5-6-17(14-18)23(26)27)25(32)29-19-12-10-16(11-13-19)20-8-3-4-9-21(20)35(28,33)34/h3-15,22H,1-2H3,(H3,26,27)(H,29,32)(H,30,31)(H2,28,33,34)/t22-/m1/s1