N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C24H31N3O5S2/c28-22(23-6-5-17-33-23)9-10-24(29)25-20-18-19(34(30,31)27-13-15-32-16-14-27)7-8-21(20)26-11-3-1-2-4-12-26/h5-8,17-18H,1-4,9-16H2,(H,25,29)