N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-methyl-1-(2-thienylsulfonyl)nipecotamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N3O4S2/c1-3-24-16-18(29-20-10-5-4-9-19(20)24)15-23(2)22(26)17-8-6-12-25(14-17)31(27,28)21-11-7-13-30-21/h4-5,7,9-11,13,17-18H,3,6,8,12,14-16H2,1-2H3