5-chloranyl-3,6-dimethyl-N-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-chloranyl-3,6-dimethyl-N-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(4-benzyl-1-piperidyl)sulfonyl]phenyl]-5-chloro-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: 5-chloro-3,6-dimethyl-N-[4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)sulfonylphenyl]-5-chloro-3,6-dimethyl-coumarilamide Formula: C29H29ClN2O4S MolecularWeight: 537.06956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)CC5=CC=CC=C5)C)Cl

InChI

InChI=1S/C29H29ClN2O4S/c1-19-16-27-25(18-26(19)30)20(2)28(36-27)29(33)31-23-8-10-24(11-9-23)37(34,35)32-14-12-22(13-15-32)17-21-6-4-3-5-7-21/h3-11,16,18,22H,12-15,17H2,1-2H3,(H,31,33)