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

Systemtic Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chloranyl-benzamide Openeye Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-4-chloro-benzamide CAS Name: N-[[5-[[4-(butylamino)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]-4-chlorobenzamide IUPAC Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide Traditional Name: N-[[5-[4-(butylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-4-chloro-benzamide Formula: C22H30ClN3O3S2 MolecularWeight: 484.0749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3S2/c1-2-3-13-24-19-5-4-14-26(15-12-19)31(28,29)21-11-10-20(30-21)16-25-22(27)17-6-8-18(23)9-7-17/h6-11,19,24H,2-5,12-16H2,1H3,(H,25,27)