sodium 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonate

Systemtic Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonate Openeye Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-sulfonate CAS Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenesulfonate IUPAC Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonate Traditional Name: sodium 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-sulfonate Formula: C23H25ClNNaO5S2 MolecularWeight: 518.02107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1.[Na+]

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1.[Na+]

InChI

InChI=1S/C23H26ClNO5S2.Na/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20;/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30);/q;+1/p-1