N-[4-(azepan-1-yl)phenyl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-5-mesyl-2-methyl-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-16-7-12-19(27(2,25)26)15-20(16)21(24)22-17-8-10-18(11-9-17)23-13-5-3-4-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)