N-cyclopropyl-4-methyl-3-[7-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[7-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]-1-oxidanylidene-isoquinolin-2-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[7-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]-1-oxo-2-isoquinolyl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[7-[2-(4-methylsulfonyl-1-piperazinyl)ethoxy]-1-oxo-2-isoquinolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[7-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]-1-oxoisoquinolin-2-yl]benzamide Traditional Name: N-cyclopropyl-3-[1-keto-7-[2-(4-mesylpiperazino)ethoxy]-2-isoquinolyl]-4-methyl-benzamide Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C27H32N4O5S/c1-19-3-4-21(26(32)28-22-6-7-22)17-25(19)31-10-9-20-5-8-23(18-24(20)27(31)33)36-16-15-29-11-13-30(14-12-29)37(2,34)35/h3-5,8-10,17-18,22H,6-7,11-16H2,1-2H3,(H,28,32)