methyl ethanoate; 5-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyridazino[4,5-b]indole-4-carboxamide

Systemtic Name: methyl ethanoate; 5-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyridazino[4,5-b]indole-4-carboxamide Openeye Name: N-benzyl-5-(p-tolylsulfonyl)pyridazino[4,5-b]indole-4-carboxamide; methyl acetate CAS Name: acetic acid methyl ester; 5-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-4-pyridazino[4,5-b]indolecarboxamide IUPAC Name: N-benzyl-5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-4-carboxamide; methyl acetate Traditional Name: acetic acid methyl ester; N-benzyl-5-tosyl-pyridazin[4,5-b]indole-4-carboxamide Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=CN=NC(=C42)C(=O)NCC5=CC=CC=C5.CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=CN=NC(=C42)C(=O)NCC5=CC=CC=C5.CC(=O)OC

InChI

InChI=1S/C25H20N4O3S.C3H6O2/c1-17-11-13-19(14-12-17)33(31,32)29-22-10-6-5-9-20(22)21-16-27-28-23(24(21)29)25(30)26-15-18-7-3-2-4-8-18;1-3(4)5-2/h2-14,16H,15H2,1H3,(H,26,30);1-2H3