N-[4-[3-(cyanomethyl)-6-propan-2-yl-azulen-1-yl]butyl]benzenesulfonamide

Systemtic Name: N-[4-[3-(cyanomethyl)-6-propan-2-yl-azulen-1-yl]butyl]benzenesulfonamide Openeye Name: N-[4-[3-(cyanomethyl)-6-isopropyl-azulen-1-yl]butyl]benzenesulfonamide CAS Name: N-[4-[3-(cyanomethyl)-6-propan-2-yl-1-azulenyl]butyl]benzenesulfonamide IUPAC Name: N-[4-[3-(cyanomethyl)-6-propan-2-ylazulen-1-yl]butyl]benzenesulfonamide Traditional Name: N-[4-[3-(cyanomethyl)-6-isopropyl-azulen-1-yl]butyl]benzenesulfonamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3)CC#N)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3)CC#N)C=C1

InChI

InChI=1S/C25H28N2O2S/c1-19(2)20-11-13-24-21(18-22(15-16-26)25(24)14-12-20)8-6-7-17-27-30(28,29)23-9-4-3-5-10-23/h3-5,9-14,18-19,27H,6-8,15,17H2,1-2H3