N-(1H-benzimidazol-2-ylmethyl)-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide hydrate

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide hydrate Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide hydrate CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide hydrate IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide hydrate Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-4-chloro-3-pyrrolidinosulfonyl-benzamide hydrate Formula: C19H21ClN4O4S MolecularWeight: 436.91244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)Cl.O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)Cl.O

InChI

InChI=1S/C19H19ClN4O3S.H2O/c20-14-8-7-13(11-17(14)28(26,27)24-9-3-4-10-24)19(25)21-12-18-22-15-5-1-2-6-16(15)23-18;/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,25)(H,22,23);1H2