N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(2-thienyl)propanamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(2-thienyl)propionamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC4=CC=CS4

InChI

InChI=1S/C23H31N3O4S2/c27-23(10-7-19-6-5-17-31-19)24-21-18-20(32(28,29)26-13-15-30-16-14-26)8-9-22(21)25-11-3-1-2-4-12-25/h5-6,8-9,17-18H,1-4,7,10-16H2,(H,24,27)