[2,2-dimethyl-4-(phenylsulfonyl)-8-piperazin-1-yl-3H-1,4-benzoxazin-6-yl]methanol

Systemtic Name: [2,2-dimethyl-4-(phenylsulfonyl)-8-piperazin-1-yl-3H-1,4-benzoxazin-6-yl]methanol Openeye Name: [4-(benzenesulfonyl)-2,2-dimethyl-8-piperazin-1-yl-3H-1,4-benzoxazin-6-yl]methanol CAS Name: [4-(benzenesulfonyl)-2,2-dimethyl-8-(1-piperazinyl)-3H-1,4-benzoxazin-6-yl]methanol IUPAC Name: [4-(benzenesulfonyl)-2,2-dimethyl-8-piperazin-1-yl-3H-1,4-benzoxazin-6-yl]methanol Traditional Name: (4-besyl-2,2-dimethyl-8-piperazino-3H-1,4-benzoxazin-6-yl)methanol Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=CC(=CC(=C2O1)N3CCNCC3)CO)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CN(C2=CC(=CC(=C2O1)N3CCNCC3)CO)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H27N3O4S/c1-21(2)15-24(29(26,27)17-6-4-3-5-7-17)19-13-16(14-25)12-18(20(19)28-21)23-10-8-22-9-11-23/h3-7,12-13,22,25H,8-11,14-15H2,1-2H3