4-(aminocarbonylamino)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]butanamide

Systemtic Name: 4-(aminocarbonylamino)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ureido-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(carbamoylamino)butanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(carbamoylamino)butanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-ureido-butyramide Formula: C18H28N4O5S MolecularWeight: 412.50372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCNC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCNC(=O)N

InChI

InChI=1S/C18H28N4O5S/c1-27-16-9-8-14(28(25,26)22-11-4-2-3-5-12-22)13-15(16)21-17(23)7-6-10-20-18(19)24/h8-9,13H,2-7,10-12H2,1H3,(H,21,23)(H3,19,20,24)