3-[4-[[2-(phenylmethyl)phenyl]sulfonylamino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[4-[[2-(phenylmethyl)phenyl]sulfonylamino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[4-[(2-benzylphenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[4-[[2-(phenylmethyl)phenyl]sulfonylamino]butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-[(2-benzylphenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[4-[(2-benzylphenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C31H33NO4S MolecularWeight: 515.66302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3CC4=CC=CC=C4)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3CC4=CC=CC=C4)C(=O)O)C=C1

InChI

InChI=1S/C31H33NO4S/c1-22(2)24-15-17-27-25(21-29(31(33)34)28(27)18-16-24)12-8-9-19-32-37(35,36)30-14-7-6-13-26(30)20-23-10-4-3-5-11-23/h3-7,10-11,13-18,21-22,32H,8-9,12,19-20H2,1-2H3,(H,33,34)