3-(azepan-1-ylsulfonyl)-N-prop-2-ynyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-prop-2-ynyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-prop-2-ynyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-prop-2-ynylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-prop-2-ynylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-propargyl-benzamide Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

C#CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H20N2O3S/c1-2-10-17-16(19)14-8-7-9-15(13-14)22(20,21)18-11-5-3-4-6-12-18/h1,7-9,13H,3-6,10-12H2,(H,17,19)