methyl 3-[(Z)-4-(phenylsulfonylamino)but-2-enyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[(Z)-4-(phenylsulfonylamino)but-2-enyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[(Z)-4-(benzenesulfonamido)but-2-enyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[(Z)-4-(benzenesulfonamido)but-2-enyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(Z)-4-(benzenesulfonamido)but-2-enyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[(Z)-4-(benzenesulfonamido)but-2-enyl]-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CC=CCNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2C/C=C\CNS(=O)(=O)C3=CC=CC=C3)C(=O)OC)C=C1

InChI

InChI=1S/C25H27NO4S/c1-18(2)19-12-14-22-20(17-24(25(27)30-3)23(22)15-13-19)9-7-8-16-26-31(28,29)21-10-5-4-6-11-21/h4-8,10-15,17-18,26H,9,16H2,1-3H3/b8-7-