N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3,3-dimethyl-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-3,3-dimethylbutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-3,3-dimethylbutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3,3-dimethyl-butyramide Formula: C18H27ClN2O3S MolecularWeight: 386.93658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C18H27ClN2O3S/c1-18(2,3)13-17(22)20-16-12-14(8-9-15(16)19)25(23,24)21-10-6-4-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,20,22)