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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(3-thienyl)propanamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(3-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=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCC4=CSC=C4

InChI

InChI=1S/C23H31N3O4S2/c27-23(8-5-19-9-16-31-18-19)24-21-17-20(32(28,29)26-12-14-30-15-13-26)6-7-22(21)25-10-3-1-2-4-11-25/h6-7,9,16-18H,1-5,8,10-15H2,(H,24,27)