N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]isoquinoline-1-carboxamide Openeye Name: N-[2-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]propyl]isoquinoline-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]butan-2-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]isoquinoline-1-carboxamide Traditional Name: N-[1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-2-methyl-propyl]isoquinoline-1-carboxamide Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N5O5S/c1-17(2)23(30-26(34)24-19-9-4-3-8-18(19)12-14-28-24)25(33)29-20-10-7-15-31(16-21(20)32)37(35,36)22-11-5-6-13-27-22/h3-6,8-9,11-14,17,20,23H,7,10,15-16H2,1-2H3,(H,29,33)(H,30,34)