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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-iodo-4-methyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-iodo-4-methylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-iodo-4-methyl-benzamide Formula: C20H23IN2O3S MolecularWeight: 498.37769

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C20H23IN2O3S/c1-15-6-7-16(14-19(15)21)20(24)22-17-8-10-18(11-9-17)27(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)