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

Systemtic Name: N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-[4-(heptylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[[4-(heptylamino)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[4-(heptylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide Formula: C26H39N3O4S2 MolecularWeight: 521.73556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C26H39N3O4S2/c1-3-4-5-6-7-16-27-22-11-9-17-29(18-15-22)35(31,32)25-14-13-24(34-25)20-28-26(30)21-10-8-12-23(19-21)33-2/h8,10,12-14,19,22,27H,3-7,9,11,15-18,20H2,1-2H3,(H,28,30)