(2S)-4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CC(OC5=CC=CC=C54)C(=O)NC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4C[C@H](OC5=CC=CC=C54)C(=O)NC

InChI

InChI=1S/C25H31N5O4S/c1-3-30-20-12-11-18(35(32,33)29-13-7-4-8-14-29)15-19(20)27-24(30)17-28-16-23(25(31)26-2)34-22-10-6-5-9-21(22)28/h5-6,9-12,15,23H,3-4,7-8,13-14,16-17H2,1-2H3,(H,26,31)/t23-/m0/s1