N-[2-(azepan-1-yl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCN3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCN3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-8-9-18(27(25,26)23-13-6-7-14-23)16-19(17)20(24)21-10-15-22-11-4-2-3-5-12-22/h8-9,16H,2-7,10-15H2,1H3,(H,21,24)