3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-methoxyphenyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxyphenyl)-4-methyl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-16-11-12-17(21(24)22-18-9-5-6-10-19(18)27-2)15-20(16)28(25,26)23-13-7-3-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)