N-(1,3-benzothiazol-2-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21FN4O3S2/c21-15-6-8-16(9-7-15)30(27,28)25-11-3-10-24(12-13-25)20(26)22-14-19-23-17-4-1-2-5-18(17)29-19/h1-2,4-9H,3,10-14H2,(H,22,26)