N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]pyrazine-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]pyrazine-2-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]pyrazine-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]pyrazinamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C21H27N5O4S/c27-21(19-16-22-7-8-23-19)24-18-15-17(31(28,29)26-11-13-30-14-12-26)5-6-20(18)25-9-3-1-2-4-10-25/h5-8,15-16H,1-4,9-14H2,(H,24,27)