[4-[6-butylsulfonyloxy-3-[4-(piperidin-1-ylmethyl)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate

Systemtic Name: [4-[6-butylsulfonyloxy-3-[4-(piperidin-1-ylmethyl)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Openeye Name: [4-[6-butylsulfonyloxy-3-[4-(1-piperidylmethyl)benzoyl]benzothiophen-2-yl]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-[6-butylsulfonyloxy-3-[4-(piperidin-1-ylmethyl)benzoyl]-1-benzothiophen-2-yl]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-[6-butylsulfonyloxy-3-[4-(piperidinomethyl)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C35H41NO7S3 MolecularWeight: 683.89754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCC)C(=O)C4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)CCCC)C(=O)C4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C35H41NO7S3/c1-3-5-22-45(38,39)42-29-16-14-28(15-17-29)35-33(31-19-18-30(24-32(31)44-35)43-46(40,41)23-6-4-2)34(37)27-12-10-26(11-13-27)25-36-20-8-7-9-21-36/h10-19,24H,3-9,20-23,25H2,1-2H3