3-(morpholin-4-ylsulfonylamino)-4-[4-(phenylmethyl)piperidin-1-yl]benzoic acid

Systemtic Name: 3-(morpholin-4-ylsulfonylamino)-4-[4-(phenylmethyl)piperidin-1-yl]benzoic acid Openeye Name: 4-(4-benzyl-1-piperidyl)-3-(morpholinosulfonylamino)benzoic acid CAS Name: 3-(4-morpholinylsulfonylamino)-4-[4-(phenylmethyl)-1-piperidinyl]benzoic acid IUPAC Name: 4-(4-benzylpiperidin-1-yl)-3-(morpholin-4-ylsulfonylamino)benzoic acid Traditional Name: 4-(4-benzylpiperidino)-3-(morpholinosulfonylamino)benzoic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H29N3O5S/c27-23(28)20-6-7-22(21(17-20)24-32(29,30)26-12-14-31-15-13-26)25-10-8-19(9-11-25)16-18-4-2-1-3-5-18/h1-7,17,19,24H,8-16H2,(H,27,28)