4-(azepan-1-ylsulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)benzamide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H29N3O4S2/c1-2-20-9-14-24-25(18-20)35-27(28-24)30(19-22-8-7-17-34-22)26(31)21-10-12-23(13-11-21)36(32,33)29-15-5-3-4-6-16-29/h7-14,17-18H,2-6,15-16,19H2,1H3