4-(azepan-1-ylsulfonyl)-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-oxolanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)benzamide Formula: C28H35N3O4S2 MolecularWeight: 541.7252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H35N3O4S2/c1-20(2)24-10-7-11-25-26(24)29-28(36-25)31(19-22-9-8-18-35-22)27(32)21-12-14-23(15-13-21)37(33,34)30-16-5-3-4-6-17-30/h7,10-15,20,22H,3-6,8-9,16-19H2,1-2H3