N-[3-(azepan-1-yl)propyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C20H30ClN3O3S MolecularWeight: 427.9885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O3S/c21-19-9-8-17(28(26,27)24-14-5-6-15-24)16-18(19)20(25)22-10-7-13-23-11-3-1-2-4-12-23/h8-9,16H,1-7,10-15H2,(H,22,25)