2-[[2-(4-pyrrolidin-1-ylbutanoylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Systemtic Name: 2-[[2-(4-pyrrolidin-1-ylbutanoylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid Openeye Name: 6-[[2-(4-pyrrolidin-1-ylbutanoylamino)phenyl]sulfonylamino]tetralin-5-carboxylic acid CAS Name: 2-[[2-[[1-oxo-4-(1-pyrrolidinyl)butyl]amino]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid IUPAC Name: 2-[[2-(4-pyrrolidin-1-ylbutanoylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid Traditional Name: 6-[[2-(4-pyrrolidinobutanoylamino)phenyl]sulfonylamino]tetralin-5-carboxylic acid Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2C(=O)O)NS(=O)(=O)C3=CC=CC=C3NC(=O)CCCN4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2C(=O)O)NS(=O)(=O)C3=CC=CC=C3NC(=O)CCCN4CCCC4

InChI

InChI=1S/C25H31N3O5S/c29-23(12-7-17-28-15-5-6-16-28)26-20-10-3-4-11-22(20)34(32,33)27-21-14-13-18-8-1-2-9-19(18)24(21)25(30)31/h3-4,10-11,13-14,27H,1-2,5-9,12,15-17H2,(H,26,29)(H,30,31)