3-azanyl-N-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-N-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-5-(1-piperidylsulfonyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzothiophene-2-carboxamide CAS Name: 3-amino-N-[[(2S)-2-oxolanyl]methyl]-5-(1-piperidinylsulfonyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-N-[[(2S)-oxolan-2-yl]methyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-5-piperidinosulfonyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzothiophene-2-carboxamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(=C3N)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(=C3N)C(=O)NC[C@@H]4CCCO4

InChI

InChI=1S/C19H25N3O4S2/c20-17-15-11-14(28(24,25)22-8-2-1-3-9-22)6-7-16(15)27-18(17)19(23)21-12-13-5-4-10-26-13/h6-7,11,13H,1-5,8-10,12,20H2,(H,21,23)/t13-/m0/s1