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

Systemtic Name: 3-[4-[(2-ethylphenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[4-[(2-ethylphenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[4-[(2-ethylphenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-[(2-ethylphenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[4-[(2-ethylphenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)NCCCCC2=CC(=C3C2=CC=C(C=C3)C(C)C)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)NCCCCC2=CC(=C3C2=CC=C(C=C3)C(C)C)C(=O)O

InChI

InChI=1S/C26H31NO4S/c1-4-19-9-5-6-11-25(19)32(30,31)27-16-8-7-10-21-17-24(26(28)29)23-15-13-20(18(2)3)12-14-22(21)23/h5-6,9,11-15,17-18,27H,4,7-8,10,16H2,1-3H3,(H,28,29)