9-methoxy-6-(4-methylphenyl)sulfonyl-N-phenyl-4,5-dihydro-3,1,6-benzothiadiazocin-2-amine

Systemtic Name: 9-methoxy-6-(4-methylphenyl)sulfonyl-N-phenyl-4,5-dihydro-3,1,6-benzothiadiazocin-2-amine Openeye Name: 9-methoxy-N-phenyl-6-(p-tolylsulfonyl)-4,5-dihydro-3,1,6-benzothiadiazocin-2-amine CAS Name: 9-methoxy-6-(4-methylphenyl)sulfonyl-N-phenyl-4,5-dihydro-3,1,6-benzothiadiazocin-2-amine IUPAC Name: 9-methoxy-6-(4-methylphenyl)sulfonyl-N-phenyl-4,5-dihydro-3,1,6-benzothiadiazocin-2-amine Traditional Name: (9-methoxy-6-tosyl-4,5-dihydro-3,1,6-benzothiadiazocin-2-yl)-phenyl-amine Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCSC(=NC3=C2C=CC(=C3)OC)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCSC(=NC3=C2C=CC(=C3)OC)NC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c1-17-8-11-20(12-9-17)31(27,28)26-14-15-30-23(24-18-6-4-3-5-7-18)25-21-16-19(29-2)10-13-22(21)26/h3-13,16H,14-15H2,1-2H3,(H,24,25)