1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-1,4-diazepane Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)C)C)OC

InChI

InChI=1S/C22H30N2O3S/c1-17-15-21(27-4)18(2)19(3)22(17)28(25,26)24-12-8-11-23(13-14-24)16-20-9-6-5-7-10-20/h5-7,9-10,15H,8,11-14,16H2,1-4H3