methyl 3-[3-(phenylsulfonylaminomethyl)phenyl]-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-[3-(phenylsulfonylaminomethyl)phenyl]-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-[3-(benzenesulfonamidomethyl)phenyl]-6-isopropyl-azulene-1-carboxylate CAS Name: 3-[3-(benzenesulfonamidomethyl)phenyl]-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(benzenesulfonamidomethyl)phenyl]-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[3-(benzenesulfonamidomethyl)phenyl]-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2C(=O)OC)C3=CC(=CC=C3)CNS(=O)(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2C(=O)OC)C3=CC(=CC=C3)CNS(=O)(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C28H27NO4S/c1-19(2)21-12-14-24-25(15-13-21)27(28(30)33-3)17-26(24)22-9-7-8-20(16-22)18-29-34(31,32)23-10-5-4-6-11-23/h4-17,19,29H,18H2,1-3H3