2-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-morpholinosulfonyl-anilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[4-methyl-3-(4-morpholinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(4-methyl-3-morpholinosulfonyl-anilino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C29H27N3O7S MolecularWeight: 561.60558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C29H27N3O7S/c1-19-6-8-21(15-27(19)40(35,36)31-10-12-37-13-11-31)30-16-24-22-4-2-3-5-23(22)28(33)32(29(24)34)17-20-7-9-25-26(14-20)39-18-38-25/h2-9,14-16,30H,10-13,17-18H2,1H3