N-[4-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexyl-3-oxidanylidene-1H-isoindole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexyl-3-oxidanylidene-1H-isoindole-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexyl-3-oxo-isoindoline-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-cyclohexyl-3-keto-isoindoline-4-carboxamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C4C(=CC=C3)CN(C4=O)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C4C(=CC=C3)CN(C4=O)C5CCCCC5

InChI

InChI=1S/C27H33N3O4S/c31-26(24-12-8-9-20-19-30(27(32)25(20)24)22-10-4-3-5-11-22)28-21-13-15-23(16-14-21)35(33,34)29-17-6-1-2-7-18-29/h8-9,12-16,22H,1-7,10-11,17-19H2,(H,28,31)