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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-chloranyl-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-chloro-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-5-(1-azepanylsulfonyl)-2-chlorobenzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-chlorobenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-chloro-benzamide Formula: C21H32ClN3O3S MolecularWeight: 442.01508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H32ClN3O3S/c22-20-10-9-18(29(27,28)25-14-7-3-4-8-15-25)17-19(20)21(26)23-11-16-24-12-5-1-2-6-13-24/h9-10,17H,1-8,11-16H2,(H,23,26)