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

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

Isomeric SMILES

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

InChI

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