methyl 3-[4-(phenylsulfonylamino)butyl]-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[4-(phenylsulfonylamino)butyl]-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[4-(benzenesulfonamido)butyl]-7-isopropyl-azulene-1-carboxylate CAS Name: 3-[4-(benzenesulfonamido)butyl]-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(benzenesulfonamido)butyl]-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[4-(benzenesulfonamido)butyl]-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO4S/c1-18(2)19-11-9-14-22-20(17-24(23(22)16-19)25(27)30-3)10-7-8-15-26-31(28,29)21-12-5-4-6-13-21/h4-6,9,11-14,16-18,26H,7-8,10,15H2,1-3H3