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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=CC=C(C=C2)C(C)NC(=O)C3CCN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

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