2,2,6-trimethyl-4-(phenylsulfonyl)-8-piperazin-1-yl-3H-1,4-benzoxazine

Systemtic Name: 2,2,6-trimethyl-4-(phenylsulfonyl)-8-piperazin-1-yl-3H-1,4-benzoxazine Openeye Name: 4-(benzenesulfonyl)-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine CAS Name: 4-(benzenesulfonyl)-2,2,6-trimethyl-8-(1-piperazinyl)-3H-1,4-benzoxazine IUPAC Name: 4-(benzenesulfonyl)-2,2,6-trimethyl-8-piperazin-1-yl-3H-1,4-benzoxazine Traditional Name: 4-besyl-2,2,6-trimethyl-8-piperazino-3H-1,4-benzoxazine Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(CC(O2)(C)C)S(=O)(=O)C3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

CC1=CC(=C2C(=C1)N(CC(O2)(C)C)S(=O)(=O)C3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C21H27N3O3S/c1-16-13-18(23-11-9-22-10-12-23)20-19(14-16)24(15-21(2,3)27-20)28(25,26)17-7-5-4-6-8-17/h4-8,13-14,22H,9-12,15H2,1-3H3