N-[4-[3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]carbonyl-6-phenylmethoxy-1-benzothiophen-2-yl]phenyl]benzenesulfonamide

Systemtic Name: N-[4-[3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]carbonyl-6-phenylmethoxy-1-benzothiophen-2-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-[6-benzyloxy-3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoyl]benzothiophen-2-yl]phenyl]benzenesulfonamide CAS Name: N-[4-[3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]-oxomethyl]-6-phenylmethoxy-1-benzothiophen-2-yl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoyl]-6-phenylmethoxy-1-benzothiophen-2-yl]phenyl]benzenesulfonamide Traditional Name: N-[4-[6-benzoxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzoyl]benzothiophen-2-yl]phenyl]benzenesulfonamide Formula: C40H36N2O5S2 MolecularWeight: 688.85424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC=CC=C6)CN7CCCC7

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC=CC=C6)CN7CCCC7

InChI

InChI=1S/C40H36N2O5S2/c1-46-36-24-30(14-15-31(36)26-42-22-8-9-23-42)39(43)38-35-21-20-33(47-27-28-10-4-2-5-11-28)25-37(35)48-40(38)29-16-18-32(19-17-29)41-49(44,45)34-12-6-3-7-13-34/h2-7,10-21,24-25,41H,8-9,22-23,26-27H2,1H3