8-methoxy-2-(phenylmethyl)sulfonyl-7-propan-2-yloxy-3,4,5,6-tetrahydro-1H-2-benzazocine

Systemtic Name: 8-methoxy-2-(phenylmethyl)sulfonyl-7-propan-2-yloxy-3,4,5,6-tetrahydro-1H-2-benzazocine Openeye Name: 2-benzylsulfonyl-7-isopropoxy-8-methoxy-3,4,5,6-tetrahydro-1H-2-benzazocine CAS Name: 8-methoxy-2-(phenylmethyl)sulfonyl-7-propan-2-yloxy-3,4,5,6-tetrahydro-1H-2-benzazocine IUPAC Name: 2-benzylsulfonyl-8-methoxy-7-propan-2-yloxy-3,4,5,6-tetrahydro-1H-2-benzazocine Traditional Name: 2-benzylsulfonyl-7-isopropoxy-8-methoxy-3,4,5,6-tetrahydro-1H-2-benzazocine Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC2=C1CCCCN(C2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=CC2=C1CCCCN(C2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29NO4S/c1-17(2)27-22-20-11-7-8-14-23(15-19(20)12-13-21(22)26-3)28(24,25)16-18-9-5-4-6-10-18/h4-6,9-10,12-13,17H,7-8,11,14-16H2,1-3H3