N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-4-methyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-4-methyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-4-methyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-methoxy-4-methylbenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-4-methylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methoxy-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=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-10-11-17(14-20(16)27-2)21(24)22-18-8-7-9-19(15-18)28(25,26)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,24)