4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3CCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C[C@H]3CCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N3O4S2/c29-24(19-11-13-21(14-12-19)34(30,31)27-15-5-1-2-6-16-27)28(18-20-8-7-17-32-20)25-26-22-9-3-4-10-23(22)33-25/h3-4,9-14,20H,1-2,5-8,15-18H2/t20-/m1/s1