N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanamide Openeye Name: 2-[allyl(2-thienylmethyl)amino]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide Traditional Name: 2-[allyl(2-thenyl)amino]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C=CCN(CC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S2/c1-2-13-24(17-20-8-7-16-29-20)18-22(26)23-19-9-11-21(12-10-19)30(27,28)25-14-5-3-4-6-15-25/h2,7-12,16H,1,3-6,13-15,17-18H2,(H,23,26)