4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(2-oxidanylidene-2-phenylazanyl-ethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(2-oxidanylidene-2-phenylazanyl-ethyl)benzamide Openeye Name: N-(2-anilino-2-oxo-ethyl)-4-(azepan-1-ylsulfonyl)-N-(2-furylmethyl)benzamide CAS Name: N-(2-anilino-2-oxoethyl)-4-(1-azepanylsulfonyl)-N-(2-furanylmethyl)benzamide IUPAC Name: N-(2-anilino-2-oxoethyl)-4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide Traditional Name: N-(2-anilino-2-keto-ethyl)-4-(azepan-1-ylsulfonyl)-N-(2-furfuryl)benzamide Formula: C26H29N3O5S MolecularWeight: 495.59056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c30-25(27-22-9-4-3-5-10-22)20-28(19-23-11-8-18-34-23)26(31)21-12-14-24(15-13-21)35(32,33)29-16-6-1-2-7-17-29/h3-5,8-15,18H,1-2,6-7,16-17,19-20H2,(H,27,30)