4-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2,4-dimethylbenzyl)-N-methyl-benzamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-18-8-9-21(19(2)16-18)17-24(3)23(26)20-10-12-22(13-11-20)29(27,28)25-14-6-4-5-7-15-25/h8-13,16H,4-7,14-15,17H2,1-3H3