N-[4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfonylpiperidine-1-carboxamide

Systemtic Name: N-[4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfonylpiperidine-1-carboxamide Openeye Name: N-[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperidine-1-carboxamide CAS Name: N-[4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]phenyl]sulfonyl-1-piperidinecarboxamide IUPAC Name: N-[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperidine-1-carboxamide Traditional Name: N-[4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperidine-1-carboxamide Formula: C31H30BrN3O5S MolecularWeight: 636.556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NC(=O)N4CCCCC4)C=CC(=C2)Br)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NC(=O)N4CCCCC4)C=CC(=C2)Br)C5=CC=CC=C5

InChI

InChI=1S/C31H30BrN3O5S/c1-2-27(36)29-28(21-9-5-3-6-10-21)26-19-24(32)14-11-23(26)20-35(29)30(37)22-12-15-25(16-13-22)41(39,40)33-31(38)34-17-7-4-8-18-34/h3,5-6,9-16,19H,2,4,7-8,17-18,20H2,1H3,(H,33,38)