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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H28ClN3O3S/c20-18-8-7-16(27(25,26)23-12-5-6-13-23)15-17(18)19(24)21-9-14-22-10-3-1-2-4-11-22/h7-8,15H,1-6,9-14H2,(H,21,24)