3-(azepan-1-ylsulfonyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-furylmethylcarbamoyl)phenyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-furfurylcarbamoyl)phenyl]-4-methyl-benzamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O5S/c1-19-12-13-20(17-24(19)35(32,33)29-14-6-2-3-7-15-29)25(30)28-23-11-5-4-10-22(23)26(31)27-18-21-9-8-16-34-21/h4-5,8-13,16-17H,2-3,6-7,14-15,18H2,1H3,(H,27,31)(H,28,30)