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

Systemtic Name: N-[4-[3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]carbonyl-6-oxidanyl-1-benzothiophen-2-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoyl]benzothiophen-2-yl]phenyl]benzenesulfonamide CAS Name: N-[4-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]-oxomethyl]-1-benzothiophen-2-yl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)benzoyl]-1-benzothiophen-2-yl]phenyl]benzenesulfonamide Traditional Name: N-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzoyl]benzothiophen-2-yl]phenyl]benzenesulfonamide Formula: C33H30N2O5S2 MolecularWeight: 598.7317

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)CN6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5)CN6CCCC6

InChI

InChI=1S/C33H30N2O5S2/c1-40-29-19-23(9-10-24(29)21-35-17-5-6-18-35)32(37)31-28-16-15-26(36)20-30(28)41-33(31)22-11-13-25(14-12-22)34-42(38,39)27-7-3-2-4-8-27/h2-4,7-16,19-20,34,36H,5-6,17-18,21H2,1H3