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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-furylmethyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-furanylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-furfuryl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)benzamide Formula: C28H31N3O4S2 MolecularWeight: 537.69344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H31N3O4S2/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/h7-15,18,20H,3-6,16-17,19H2,1-2H3