N-[(2S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]methanesulfonamide

Systemtic Name: N-[(2S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]methanesulfonamide Openeye Name: N-[(2S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]methanesulfonamide CAS Name: N-[(2S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]methanesulfonamide IUPAC Name: N-[(2S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]methanesulfonamide Traditional Name: N-[(2S)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-1,5,9-triaza-7-azanidabicyclo[4.3.0]nona-3,5,8-trien-8-yl]methanesulfonamide Formula: C19H17ClN5O3S- MolecularWeight: 430.88798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C=C(N=C3N2N=C([N-]3)NS(=O)(=O)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2C=C(N=C3N2N=C([N-]3)NS(=O)(=O)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN5O3S/c1-28-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)21-19-22-18(23-25(16)19)24-29(2,26)27/h3-11,16H,1-2H3,(H-,21,22,23,24)/q-1/t16-/m0/s1