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

Systemtic Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-sulfonic acid Openeye Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-sulfonic acid CAS Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenesulfonic acid IUPAC Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonic acid Traditional Name: 3-[4-(brosylamino)butyl]-6-isopropyl-azulene-1-sulfonic acid Formula: C23H26BrNO5S2 MolecularWeight: 540.49024

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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)Br)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)O)CCCCNS(=O)(=O)C3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C23H26BrNO5S2/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)