N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3,4-dimethylbenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4-dimethyl-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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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)C

Isomeric SMILES

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

InChI

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