N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[1-[4-(4-methyl-1-piperidyl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[1-[4-(4-methyl-1-piperidinyl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 5-mesyl-N-[1-[4-(4-methylpiperidino)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)C(C)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)C(C)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O4S/c1-18-12-15-27(16-13-18)21-10-8-20(9-11-21)19(2)26-25(29)24-14-17-28(33(3,30)31)22-6-4-5-7-23(22)32-24/h4-11,18-19,24H,12-17H2,1-3H3,(H,26,29)