N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-4-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-4-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-4-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[5-[[cyclopropyl(oxo)methyl]amino]-2-methylphenyl]-4-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-4-(propargylsulfamoyl)benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H21N3O4S/c1-3-12-22-29(27,28)18-10-7-16(8-11-18)21(26)24-19-13-17(9-4-14(19)2)23-20(25)15-5-6-15/h1,4,7-11,13,15,22H,5-6,12H2,2H3,(H,23,25)(H,24,26)