N'-butyl-4-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-3-(phenylsulfonylamino)benzenecarboximidamide

Systemtic Name: N'-butyl-4-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-3-(phenylsulfonylamino)benzenecarboximidamide Openeye Name: 3-(benzenesulfonamido)-N'-butyl-4-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]benzamidine CAS Name: 3-(benzenesulfonamido)-N'-butyl-4-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]benzenecarboximidamide IUPAC Name: 3-(benzenesulfonamido)-N'-butyl-4-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]benzenecarboximidamide Traditional Name: 4-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-3-(benzenesulfonamido)-N'-butyl-benzamidine Formula: C30H37N5O3S MolecularWeight: 547.71148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(C1=CC(=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C)NS(=O)(=O)C4=CC=CC=C4)N

Isomeric SMILES

CCCCN=C(C1=CC(=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C)NS(=O)(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C30H37N5O3S/c1-3-4-18-33-30(32)24-12-15-28(29(21-24)34-39(36,37)27-8-6-5-7-9-27)23-10-13-25(14-11-23)38-26-16-19-35(20-17-26)22(2)31/h5-15,21,26,31,34H,3-4,16-20H2,1-2H3,(H2,32,33)