N-(5-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-oxidanyl-3-phenoxy-propyl)methanesulfonamide

Systemtic Name: N-(5-azanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-oxidanyl-3-phenoxy-propyl)methanesulfonamide Openeye Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-hydroxy-3-phenoxy-propyl)methanesulfonamide CAS Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-hydroxy-3-phenoxypropyl)methanesulfonamide IUPAC Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-N-(2-hydroxy-3-phenoxypropyl)methanesulfonamide Traditional Name: N-(5-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl)-N-(2-hydroxy-3-phenoxy-propyl)methanesulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(COC1=CC=CC=C1)O)C2=CC3=C(CCCCC3N)C=C2

Isomeric SMILES

CS(=O)(=O)N(CC(COC1=CC=CC=C1)O)C2=CC3=C(CCCCC3N)C=C2

InChI

InChI=1S/C21H28N2O4S/c1-28(25,26)23(14-18(24)15-27-19-8-3-2-4-9-19)17-12-11-16-7-5-6-10-21(22)20(16)13-17/h2-4,8-9,11-13,18,21,24H,5-7,10,14-15,22H2,1H3