N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide

Systemtic Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[[4-(butylamino)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide Formula: C23H33N3O4S2 MolecularWeight: 479.65582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H33N3O4S2/c1-3-4-13-24-19-8-6-14-26(15-12-19)32(28,29)22-11-10-21(31-22)17-25-23(27)18-7-5-9-20(16-18)30-2/h5,7,9-11,16,19,24H,3-4,6,8,12-15,17H2,1-2H3,(H,25,27)