N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-pyrazol-1-yl-propionamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3)N4C=CC=N4

InChI

InChI=1S/C22H31N5O4S/c1-18(27-12-6-9-23-27)22(28)24-20-17-19(32(29,30)26-13-15-31-16-14-26)7-8-21(20)25-10-4-2-3-5-11-25/h6-9,12,17-18H,2-5,10-11,13-16H2,1H3,(H,24,28)