N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-morpholinosulfonyl-benzamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CSC=C4

InChI

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