2-[[2-(pyrrolidin-3-ylmethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Systemtic Name: 2-[[2-(pyrrolidin-3-ylmethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid Openeye Name: 6-[[2-(pyrrolidin-3-ylmethylamino)phenyl]sulfonylamino]tetralin-5-carboxylic acid CAS Name: 2-[[2-(3-pyrrolidinylmethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid IUPAC Name: 2-[[2-(pyrrolidin-3-ylmethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid Traditional Name: 6-[[2-(pyrrolidin-3-ylmethylamino)phenyl]sulfonylamino]tetralin-5-carboxylic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2C(=O)O)NS(=O)(=O)C3=CC=CC=C3NCC4CCNC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2C(=O)O)NS(=O)(=O)C3=CC=CC=C3NCC4CCNC4

InChI

InChI=1S/C22H27N3O4S/c26-22(27)21-17-6-2-1-5-16(17)9-10-19(21)25-30(28,29)20-8-4-3-7-18(20)24-14-15-11-12-23-13-15/h3-4,7-10,15,23-25H,1-2,5-6,11-14H2,(H,26,27)