(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H26ClN3O3S2/c22-20-7-6-18(30(27,28)25-10-1-2-11-25)15-19(20)21(26)24-9-4-8-23(12-13-24)16-17-5-3-14-29-17/h3,5-7,14-15H,1-2,4,8-13,16H2